1-bromo-3-chloro-2-methylbenzene;bis(1-chloro-2,3-dimethylbenzene);4-chloro-1,2-dimethylbenzene;1-chloro-3-fluoro-2-methylbenzene;2-chloro-1-fluoro-3-methylbenzene;2-chloro-4-fluoro-1-methylbenzene;1-chloro-3-methoxy-2-methylbenzene;1-chloro-2-methylbenzene;1-chloro-4-methylbenzene;1,2-dichloro-3-methylbenzene;1,3-dichloro-2-methylbenzene;1,4-dichloro-2-methylbenzene;1,3-difluoro-2-methylbenzene;1-fluoro-2,3-dimethylbenzene;1-fluoro-2-methyl-3-(trifluoromethyl)benzene;2-methylfuran;5-methyl-1H-imidazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;2-methyl-1H-pyrrole;2-methylthiophene;toluene;1,2,3-trimethylbenzene;1,3-xylene

C184H195BrCl16F10N8O2S — CID 157126358

IUPAC1-bromo-3-chloro-2-methylbenzene;bis(1-chloro-2,3-dimethylbenzene);4-chloro-1,2-dimethylbenzene;1-chloro-3-fluoro-2-methylbenzene;2-chloro-1-fluoro-3-methylbenzene;2-chloro-4-fluoro-1-methylbenzene;1-chloro-3-methoxy-2-methylbenzene;1-chloro-2-methylbenzene;1-chloro-4-methylbenzene;1,2-dichloro-3-methylbenzene;1,3-dichloro-2-methylbenzene;1,4-dichloro-2-methylbenzene;1,3-difluoro-2-methylbenzene;1-fluoro-2,3-dimethylbenzene;1-fluoro-2-methyl-3-(trifluoromethyl)benzene;2-methylfuran;5-methyl-1H-imidazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;2-methyl-1H-pyrrole;2-methylthiophene;toluene;1,2,3-trimethylbenzene;1,3-xylene
SMILESCOc1cccc(Cl)c1C.Cc1c(Cl)cccc1Br.Cc1c(Cl)cccc1Cl.Cc1c(F)cccc1C(F)(F)F.Cc1c(F)cccc1Cl.Cc1c(F)cccc1F.Cc1cc(Cl)ccc1Cl.Cc1ccc(Cl)cc1.Cc1ccc(Cl)cc1C.Cc1ccc(F)cc1Cl.Cc1ccc[nH]1.Cc1cccc(C)c1.Cc1cccc(C)c1C.Cc1cccc(Cl)c1C.Cc1cccc(Cl)c1C.Cc1cccc(Cl)c1Cl.Cc1cccc(F)c1C.Cc1cccc(F)c1Cl.Cc1ccccc1.Cc1ccccc1Cl.Cc1ccccn1.Cc1cccnc1.Cc1ccco1.Cc1cccs1.Cc1ccncc1.Cc1cnc[nH]1.Cc1ncccn1
InChIInChI=1S/C9H12.C8H9ClO.3C8H9Cl.C8H6F4.C8H9F.C8H10.C7H6BrCl.3C7H6Cl2.3C7H6ClF.2C7H7Cl.C7H6F2.C7H8.3C6H7N.C5H6N2.C5H7N.C5H6O.C5H6S.C4H6N2/c1-7-5-4-6-8(2)9(7)3;1-6-7(9)4-3-5-8(6)10-2;1-6-3-4-8(9)5-7(6)2;2*1-6-4-3-5-8(9)7(6)2;1-5-6(8(10,11)12)3-2-4-7(5)9;1-6-4-3-5-8(9)7(6)2;1-7-4-3-5-8(2)6-7;1-5-6(8)3-2-4-7(5)9;1-5-4-6(8)2-3-7(5)9;1-5-6(8)3-2-4-7(5)9;1-5-3-2-4-6(8)7(5)9;1-5-2-3-6(9)4-7(5)8;1-5-6(8)3-2-4-7(5)9;1-5-3-2-4-6(9)7(5)8;1-6-2-4-7(8)5-3-6;1-6-4-2-3-5-7(6)8;1-5-6(8)3-2-4-7(5)9;1-7-5-3-2-4-6-7;1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;1-5-6-3-2-4-7-5;3*1-5-3-2-4-6-5;1-4-2-5-3-6-4/h4-6H,1-3H3;3-5H,1-2H3;3*3-5H,1-2H3;2-4H,1H3;3-5H,1-2H3;3-6H,1-2H3;7*2-4H,1H3;2*2-5H,1H3;2-4H,1H3;2-6H,1H3;3*2-5H,1H3;2-4H,1H3;2-4,6H,1H3;2*2-4H,1H3;2-3H,1H3,(H,5,6)
InChIKeyAINXLQGJMRNQMJ-UHFFFAOYSA-N
MW3419.84 g/mol
LogP63.92
Rot. Bonds1

About 1-bromo-3-chloro-2-methylbenzene;bis(1-chloro-2,3-dimethylbenzene);4-chloro-1,2-dimethylbenzene;1-chloro-3-fluoro-2-methylbenzene;2-chloro-1-fluoro-3-methylbenzene;2-chloro-4-fluoro-1-methylbenzene;1-chloro-3-methoxy-2-methylbenzene;1-chloro-2-methylbenzene;1-chloro-4-methylbenzene;1,2-dichloro-3-methylbenzene;1,3-dichloro-2-methylbenzene;1,4-dichloro-2-methylbenzene;1,3-difluoro-2-methylbenzene;1-fluoro-2,3-dimethylbenzene;1-fluoro-2-methyl-3-(trifluoromethyl)benzene;2-methylfuran;5-methyl-1H-imidazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;2-methyl-1H-pyrrole;2-methylthiophene;toluene;1,2,3-trimethylbenzene;1,3-xylene

1-bromo-3-chloro-2-methylbenzene;bis(1-chloro-2,3-dimethylbenzene);4-chloro-1,2-dimethylbenzene;1-chloro-3-fluoro-2-methylbenzene;2-chloro-1-fluoro-3-methylbenzene;2-chloro-4-fluoro-1-methylbenzene;1-chloro-3-methoxy-2-methylbenzene;1-chloro-2-methylbenzene;1-chloro-4-methylbenzene;1,2-dichloro-3-methylbenzene;1,3-dichloro-2-methylbenzene;1,4-dichloro-2-methylbenzene;1,3-difluoro-2-methylbenzene;1-fluoro-2,3-dimethylbenzene;1-fluoro-2-methyl-3-(trifluoromethyl)benzene;2-methylfuran;5-methyl-1H-imidazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;2-methyl-1H-pyrrole;2-methylthiophene;toluene;1,2,3-trimethylbenzene;1,3-xylene (PubChem CID 157126358) has the molecular formula C184H195BrCl16F10N8O2S and a molecular weight of 3419.84 g/mol. Its IUPAC name is 1-bromo-3-chloro-2-methylbenzene;bis(1-chloro-2,3-dimethylbenzene);4-chloro-1,2-dimethylbenzene;1-chloro-3-fluoro-2-methylbenzene;2-chloro-1-fluoro-3-methylbenzene;2-chloro-4-fluoro-1-methylbenzene;1-chloro-3-methoxy-2-methylbenzene;1-chloro-2-methylbenzene;1-chloro-4-methylbenzene;1,2-dichloro-3-methylbenzene;1,3-dichloro-2-methylbenzene;1,4-dichloro-2-methylbenzene;1,3-difluoro-2-methylbenzene;1-fluoro-2,3-dimethylbenzene;1-fluoro-2-methyl-3-(trifluoromethyl)benzene;2-methylfuran;5-methyl-1H-imidazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;2-methyl-1H-pyrrole;2-methylthiophene;toluene;1,2,3-trimethylbenzene;1,3-xylene.

Molecular Properties

Compound Name1-bromo-3-chloro-2-methylbenzene;bis(1-chloro-2,3-dimethylbenzene);4-chloro-1,2-dimethylbenzene;1-chloro-3-fluoro-2-methylbenzene;2-chloro-1-fluoro-3-methylbenzene;2-chloro-4-fluoro-1-methylbenzene;1-chloro-3-methoxy-2-methylbenzene;1-chloro-2-methylbenzene;1-chloro-4-methylbenzene;1,2-dichloro-3-methylbenzene;1,3-dichloro-2-methylbenzene;1,4-dichloro-2-methylbenzene;1,3-difluoro-2-methylbenzene;1-fluoro-2,3-dimethylbenzene;1-fluoro-2-methyl-3-(trifluoromethyl)benzene;2-methylfuran;5-methyl-1H-imidazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;2-methyl-1H-pyrrole;2-methylthiophene;toluene;1,2,3-trimethylbenzene;1,3-xylene
PubChem CID157126358
Molecular FormulaC184H195BrCl16F10N8O2S
Molecular Weight3419.84 g/mol
Exact Mass3408.92
IUPAC Name1-bromo-3-chloro-2-methylbenzene;bis(1-chloro-2,3-dimethylbenzene);4-chloro-1,2-dimethylbenzene;1-chloro-3-fluoro-2-methylbenzene;2-chloro-1-fluoro-3-methylbenzene;2-chloro-4-fluoro-1-methylbenzene;1-chloro-3-methoxy-2-methylbenzene;1-chloro-2-methylbenzene;1-chloro-4-methylbenzene;1,2-dichloro-3-methylbenzene;1,3-dichloro-2-methylbenzene;1,4-dichloro-2-methylbenzene;1,3-difluoro-2-methylbenzene;1-fluoro-2,3-dimethylbenzene;1-fluoro-2-methyl-3-(trifluoromethyl)benzene;2-methylfuran;5-methyl-1H-imidazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;2-methyl-1H-pyrrole;2-methylthiophene;toluene;1,2,3-trimethylbenzene;1,3-xylene
SMILESCOc1cccc(Cl)c1C.Cc1c(Cl)cccc1Br.Cc1c(Cl)cccc1Cl.Cc1c(F)cccc1C(F)(F)F.Cc1c(F)cccc1Cl.Cc1c(F)cccc1F.Cc1cc(Cl)ccc1Cl.Cc1ccc(Cl)cc1.Cc1ccc(Cl)cc1C.Cc1ccc(F)cc1Cl.Cc1ccc[nH]1.Cc1cccc(C)c1.Cc1cccc(C)c1C.Cc1cccc(Cl)c1C.Cc1cccc(Cl)c1C.Cc1cccc(Cl)c1Cl.Cc1cccc(F)c1C.Cc1cccc(F)c1Cl.Cc1ccccc1.Cc1ccccc1Cl.Cc1ccccn1.Cc1cccnc1.Cc1ccco1.Cc1cccs1.Cc1ccncc1.Cc1cnc[nH]1.Cc1ncccn1
InChIInChI=1S/C9H12.C8H9ClO.3C8H9Cl.C8H6F4.C8H9F.C8H10.C7H6BrCl.3C7H6Cl2.3C7H6ClF.2C7H7Cl.C7H6F2.C7H8.3C6H7N.C5H6N2.C5H7N.C5H6O.C5H6S.C4H6N2/c1-7-5-4-6-8(2)9(7)3;1-6-7(9)4-3-5-8(6)10-2;1-6-3-4-8(9)5-7(6)2;2*1-6-4-3-5-8(9)7(6)2;1-5-6(8(10,11)12)3-2-4-7(5)9;1-6-4-3-5-8(9)7(6)2;1-7-4-3-5-8(2)6-7;1-5-6(8)3-2-4-7(5)9;1-5-4-6(8)2-3-7(5)9;1-5-6(8)3-2-4-7(5)9;1-5-3-2-4-6(8)7(5)9;1-5-2-3-6(9)4-7(5)8;1-5-6(8)3-2-4-7(5)9;1-5-3-2-4-6(9)7(5)8;1-6-2-4-7(8)5-3-6;1-6-4-2-3-5-7(6)8;1-5-6(8)3-2-4-7(5)9;1-7-5-3-2-4-6-7;1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;1-5-6-3-2-4-7-5;3*1-5-3-2-4-6-5;1-4-2-5-3-6-4/h4-6H,1-3H3;3-5H,1-2H3;3*3-5H,1-2H3;2-4H,1H3;3-5H,1-2H3;3-6H,1-2H3;7*2-4H,1H3;2*2-5H,1H3;2-4H,1H3;2-6H,1H3;3*2-5H,1H3;2-4H,1H3;2-4,6H,1H3;2*2-4H,1H3;2-3H,1H3,(H,5,6)
InChIKeyAINXLQGJMRNQMJ-UHFFFAOYSA-N
XLogP63.92
TPSA131.29 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds1
Heavy Atoms222
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003419.84
LogP ≤ 563.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 1-bromo-3-chloro-2-methylbenzene;bis(1-chloro-2,3-dimethylbenzene);4-chloro-1,2-dimethylbenzene;1-chloro-3-fluoro-2-methylbenzene;2-chloro-1-fluoro-3-methylbenzene;2-chloro-4-fluoro-1-methylbenzene;1-chloro-3-methoxy-2-methylbenzene;1-chloro-2-methylbenzene;1-chloro-4-methylbenzene;1,2-dichloro-3-methylbenzene;1,3-dichloro-2-methylbenzene;1,4-dichloro-2-methylbenzene;1,3-difluoro-2-methylbenzene;1-fluoro-2,3-dimethylbenzene;1-fluoro-2-methyl-3-(trifluoromethyl)benzene;2-methylfuran;5-methyl-1H-imidazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;2-methyl-1H-pyrrole;2-methylthiophene;toluene;1,2,3-trimethylbenzene;1,3-xylene with MolForge

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Related Compounds

4-chloro-2-fluoro-1-propan-2-ylbenzene;cumene;2,4-dichloro-1-propan-2-ylbenzene;2,4-difluoro-1-propan-2-ylbenzene;1,2-dimethyl-5-propan-2-ylimidazole;2,5-di(propan-2-yl)furan;2,5-di(propan-2-yl)-1H-imidazole;2,5-di(propan-2-yl)-1H-pyrrole;2,5-di(propan-2-yl)thiophene;2-fluoro-1-propan-2-yl-4-(trifluoromethyl)benzene;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-yl-1H-imidazole;2-methyl-5-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1H-pyrrole;2-methyl-5-propan-2-ylthiophene;2-propan-2-ylfuran;5-propan-2-yl-1H-imidazole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;2-propan-2-ylthiophene;1-propan-2-yl-4-(trifluoromethyl)benzene;5-propan-2-yl-2-(trifluoromethyl)pyridine
CID 157968634
1-bromo-3-chloro-2-methylbenzene;but-1-ene;bis(1-chloro-2,3-dimethylbenzene);2-chloro-1,3-dimethylbenzene;bis(2-chloro-1,4-dimethylbenzene);1-chloro-3-fluoro-2-methylbenzene;2-chloro-1-fluoro-3-methylbenzene;1-chloro-3-methoxy-2-methylbenzene;1-chloro-2-methylbenzene;1-chloro-4-methylbenzene;1,3-dichloro-2-methylbenzene;1,4-dichloro-2-methylbenzene;1,3-difluoro-2-methylbenzene;2,2-dimethylpropane;1-fluoro-2,3-dimethylbenzene;1-fluoro-2-methyl-3-(trifluoromethyl)benzene;methane;methylcyclobutane;methylcyclohexane;methylcyclopentane;methylcyclopropane;2-methylfuran;5-methyl-1H-imidazole;2-methylpropane;2-methylpyridine;3-methylpyridine;2-methylpyrimidine;2-methyl-1H-pyrrole;2-methylthiophene;toluene;1,2,3-trimethylbenzene;1,3-xylene
CID 159302120
CID 160747097
CID 160747097
4-chloro-2-fluoro-1-propan-2-ylbenzene;cumene;2,4-dichloro-1-propan-2-ylbenzene;2,4-difluoro-1-propan-2-ylbenzene;1,2-dimethyl-5-propan-2-ylimidazole;2,5-di(propan-2-yl)furan;bis(2,5-di(propan-2-yl)-1H-imidazole);1-fluoro-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;2-fluoro-1-propan-2-yl-4-(trifluoromethyl)benzene;1-methyl-4-propan-2-ylbenzene;2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-yl-1H-imidazole;2-methyl-5-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1H-pyrrole;2-methyl-5-propan-2-ylthiophene;2-propan-2-ylfuran;5-propan-2-yl-1H-imidazole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;2-propan-2-ylthiophene;1-propan-2-yl-4-(trifluoromethyl)benzene;5-propan-2-yl-2-(trifluoromethyl)pyridine;dihydrochloride
CID 160990691
4-chloro-2-methyl-1-propan-2-ylbenzene;cumene;2,4-dichloro-1-propan-2-ylbenzene;1,2-dimethyl-5-propan-2-ylimidazole;2,5-di(propan-2-yl)furan;2,5-di(propan-2-yl)-1H-imidazole;2,5-di(propan-2-yl)-1H-pyrrole;2,5-di(propan-2-yl)thiophene;4-fluoro-2-methyl-1-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-yl-1H-imidazole;2-methyl-5-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1H-pyrrole;2-methyl-5-propan-2-ylthiophene;2-methyl-1-propan-2-yl-4-(trifluoromethyl)benzene;2-propan-2-ylfuran;5-propan-2-yl-1H-imidazole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;2-propan-2-ylthiophene;1-propan-2-yl-4-(trifluoromethyl)benzene;5-propan-2-yl-2-(trifluoromethyl)pyridine
CID 161772147
1-bromo-3-chloro-2-methylbenzene;but-1-ene;bis(1-chloro-2,3-dimethylbenzene);4-chloro-1,2-dimethylbenzene;1-chloro-3-fluoro-2-methylbenzene;2-chloro-1-fluoro-3-methylbenzene;2-chloro-4-fluoro-1-methylbenzene;1-chloro-3-methoxy-2-methylbenzene;1-chloro-2-methylbenzene;1-chloro-4-methylbenzene;1,2-dichloro-3-methylbenzene;1,3-dichloro-2-methylbenzene;1,4-dichloro-2-methylbenzene;1,3-difluoro-2-methylbenzene;2,2-dimethylpropane;1-fluoro-2,3-dimethylbenzene;1-fluoro-2-methyl-3-(trifluoromethyl)benzene;methylcyclobutane;methylcyclohexane;methylcyclopentane;methylcyclopropane;2-methylfuran;5-methyl-1H-imidazole;2-methylpropane;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;2-methyl-1H-pyrrole;2-methylthiophene;toluene;1,2,3-trimethylbenzene;1,3-xylene
CID 161906396
CID 162005443
CID 162005443
2-bromo-1,4-di(propan-2-yl)benzene;2-chloro-1,4-di(propan-2-yl)benzene;3-chloro-2,4-di(propan-2-yl)thiophene;1-chloro-3-fluoro-2,5-di(propan-2-yl)benzene;1,3-difluoro-2,5-di(propan-2-yl)benzene;1,4-difluoro-2,5-di(propan-2-yl)benzene;1,4-di(propan-2-yl)benzene;2,4-di(propan-2-yl)furan;1,4-di(propan-2-yl)piperazine;bis(1,4-di(propan-2-yl)piperidine);2,5-di(propan-2-yl)pyridine;2,5-di(propan-2-yl)pyrimidine;2,4-di(propan-2-yl)-1H-pyrrole;2,4-di(propan-2-yl)-1,3-thiazole;bis(2,4-di(propan-2-yl)thiophene);bis(2-fluoro-1,4-di(propan-2-yl)benzene);2-methyl-1,4-di(propan-2-yl)benzene
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2-bromo-1,4-di(propan-2-yl)benzene;bis(2-chloro-1,4-di(propan-2-yl)benzene);3-chloro-2,4-di(propan-2-yl)thiophene;1-chloro-3-fluoro-2,5-di(propan-2-yl)benzene;1,3-difluoro-2,5-di(propan-2-yl)benzene;1,4-difluoro-2,5-di(propan-2-yl)benzene;1,4-di(propan-2-yl)benzene;1,4-di(propan-2-yl)cyclohexane;2,4-di(propan-2-yl)furan;1,4-di(propan-2-yl)piperazine;bis(1,4-di(propan-2-yl)piperidine);2,5-di(propan-2-yl)pyridine;2,5-di(propan-2-yl)pyrimidine;2,4-di(propan-2-yl)-1H-pyrrole;2,4-di(propan-2-yl)-1,3-thiazole;bis(2,4-di(propan-2-yl)thiophene);bis(2-fluoro-1,4-di(propan-2-yl)benzene);2-methyl-1,4-di(propan-2-yl)benzene
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2-bromo-1,4-dimethylbenzene;2-chloro-1,4-dimethylbenzene;3-chloro-2,4-dimethylthiophene;1-chloro-3-fluoro-2,5-dimethylbenzene;1,3-difluoro-2,5-dimethylbenzene;1,4-difluoro-2,5-dimethylbenzene;2,5-dimethylbenzoic acid;1,4-dimethylcyclohexane;1,3-dimethylcyclopenta-1,3-diene;2,4-dimethylfuran;1,4-dimethylpiperazine;bis(1,4-dimethylpiperidine);2,5-dimethylpyrazine;bis(2,5-dimethylpyridine);bis(2,5-dimethylpyrimidine);2,4-dimethyl-1H-pyrrole;2,4-dimethyl-1,3-thiazole;bis(2,4-dimethylthiophene);bis(2-fluoro-1,4-dimethylbenzene);2-methoxy-1,4-dimethylbenzene;1,2,4-trimethylbenzene;1,4-xylene
CID 158276056
2-bromo-1,4-dimethylbenzene;2-chloro-1,4-dimethylbenzene;3-chloro-2,4-dimethylthiophene;1-chloro-3-fluoro-2-methylbenzene;1,3-difluoro-2,5-dimethylbenzene;1,4-difluoro-2,5-dimethylbenzene;1,4-dimethylcyclohexane;1,3-dimethylcyclopenta-1,3-diene;2,4-dimethylfuran;1,4-dimethylpiperazine;bis(1,4-dimethylpiperidine);2,5-dimethylpyridine;2,5-dimethylpyrimidine;2,4-dimethyl-1H-pyrrole;2,4-dimethyl-1,3-thiazole;bis(2,4-dimethylthiophene);bis(2-fluoro-1,4-dimethylbenzene);1,2,4-trimethylbenzene;1,4-xylene
CID 158580734
2-bromo-1,4-dimethylbenzene;2-chloro-1,4-dimethylbenzene;3-chloro-2,4-dimethylthiophene;1-chloro-3-fluoro-2,5-dimethylbenzene;1,3-difluoro-2,5-dimethylbenzene;1,4-difluoro-2,5-dimethylbenzene;2,5-dimethylbenzoic acid;2,4-dimethylfuran;2,5-dimethylpyrazine;bis(2,5-dimethylpyridine);bis(2,5-dimethylpyrimidine);2,4-dimethyl-1H-pyrrole;2,4-dimethyl-1,3-thiazole;bis(2,4-dimethylthiophene);bis(2-fluoro-1,4-dimethylbenzene);2-methoxy-1,4-dimethylbenzene;1,2,4-trimethylbenzene;1,4-xylene
CID 158601140

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-chloro-2-methylbenzene;bis(1-chloro-2,3-dimethylbenzene);4-chloro-1,2-dimethylbenzene;1-chloro-3-fluoro-2-methylbenzene;2-chloro-1-fluoro-3-methylbenzene;2-chloro-4-fluoro-1-methylbenzene;1-chloro-3-methoxy-2-methylbenzene;1-chloro-2-methylbenzene;1-chloro-4-methylbenzene;1,2-dichloro-3-methylbenzene;1,3-dichloro-2-methylbenzene;1,4-dichloro-2-methylbenzene;1,3-difluoro-2-methylbenzene;1-fluoro-2,3-dimethylbenzene;1-fluoro-2-methyl-3-(trifluoromethyl)benzene;2-methylfuran;5-methyl-1H-imidazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;2-methyl-1H-pyrrole;2-methylthiophene;toluene;1,2,3-trimethylbenzene;1,3-xylene?
The IUPAC name of 1-bromo-3-chloro-2-methylbenzene;bis(1-chloro-2,3-dimethylbenzene);4-chloro-1,2-dimethylbenzene;1-chloro-3-fluoro-2-methylbenzene;2-chloro-1-fluoro-3-methylbenzene;2-chloro-4-fluoro-1-methylbenzene;1-chloro-3-methoxy-2-methylbenzene;1-chloro-2-methylbenzene;1-chloro-4-methylbenzene;1,2-dichloro-3-methylbenzene;1,3-dichloro-2-methylbenzene;1,4-dichloro-2-methylbenzene;1,3-difluoro-2-methylbenzene;1-fluoro-2,3-dimethylbenzene;1-fluoro-2-methyl-3-(trifluoromethyl)benzene;2-methylfuran;5-methyl-1H-imidazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;2-methyl-1H-pyrrole;2-methylthiophene;toluene;1,2,3-trimethylbenzene;1,3-xylene (CID 157126358) is 1-bromo-3-chloro-2-methylbenzene;bis(1-chloro-2,3-dimethylbenzene);4-chloro-1,2-dimethylbenzene;1-chloro-3-fluoro-2-methylbenzene;2-chloro-1-fluoro-3-methylbenzene;2-chloro-4-fluoro-1-methylbenzene;1-chloro-3-methoxy-2-methylbenzene;1-chloro-2-methylbenzene;1-chloro-4-methylbenzene;1,2-dichloro-3-methylbenzene;1,3-dichloro-2-methylbenzene;1,4-dichloro-2-methylbenzene;1,3-difluoro-2-methylbenzene;1-fluoro-2,3-dimethylbenzene;1-fluoro-2-methyl-3-(trifluoromethyl)benzene;2-methylfuran;5-methyl-1H-imidazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;2-methyl-1H-pyrrole;2-methylthiophene;toluene;1,2,3-trimethylbenzene;1,3-xylene.
What is the SMILES notation for 1-bromo-3-chloro-2-methylbenzene;bis(1-chloro-2,3-dimethylbenzene);4-chloro-1,2-dimethylbenzene;1-chloro-3-fluoro-2-methylbenzene;2-chloro-1-fluoro-3-methylbenzene;2-chloro-4-fluoro-1-methylbenzene;1-chloro-3-methoxy-2-methylbenzene;1-chloro-2-methylbenzene;1-chloro-4-methylbenzene;1,2-dichloro-3-methylbenzene;1,3-dichloro-2-methylbenzene;1,4-dichloro-2-methylbenzene;1,3-difluoro-2-methylbenzene;1-fluoro-2,3-dimethylbenzene;1-fluoro-2-methyl-3-(trifluoromethyl)benzene;2-methylfuran;5-methyl-1H-imidazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;2-methyl-1H-pyrrole;2-methylthiophene;toluene;1,2,3-trimethylbenzene;1,3-xylene?
The canonical SMILES for 1-bromo-3-chloro-2-methylbenzene;bis(1-chloro-2,3-dimethylbenzene);4-chloro-1,2-dimethylbenzene;1-chloro-3-fluoro-2-methylbenzene;2-chloro-1-fluoro-3-methylbenzene;2-chloro-4-fluoro-1-methylbenzene;1-chloro-3-methoxy-2-methylbenzene;1-chloro-2-methylbenzene;1-chloro-4-methylbenzene;1,2-dichloro-3-methylbenzene;1,3-dichloro-2-methylbenzene;1,4-dichloro-2-methylbenzene;1,3-difluoro-2-methylbenzene;1-fluoro-2,3-dimethylbenzene;1-fluoro-2-methyl-3-(trifluoromethyl)benzene;2-methylfuran;5-methyl-1H-imidazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;2-methyl-1H-pyrrole;2-methylthiophene;toluene;1,2,3-trimethylbenzene;1,3-xylene is COc1cccc(Cl)c1C.Cc1c(Cl)cccc1Br.Cc1c(Cl)cccc1Cl.Cc1c(F)cccc1C(F)(F)F.Cc1c(F)cccc1Cl.Cc1c(F)cccc1F.Cc1cc(Cl)ccc1Cl.Cc1ccc(Cl)cc1.Cc1ccc(Cl)cc1C.Cc1ccc(F)cc1Cl.Cc1ccc[nH]1.Cc1cccc(C)c1.Cc1cccc(C)c1C.Cc1cccc(Cl)c1C.Cc1cccc(Cl)c1C.Cc1cccc(Cl)c1Cl.Cc1cccc(F)c1C.Cc1cccc(F)c1Cl.Cc1ccccc1.Cc1ccccc1Cl.Cc1ccccn1.Cc1cccnc1.Cc1ccco1.Cc1cccs1.Cc1ccncc1.Cc1cnc[nH]1.Cc1ncccn1.
What is the InChIKey of 1-bromo-3-chloro-2-methylbenzene;bis(1-chloro-2,3-dimethylbenzene);4-chloro-1,2-dimethylbenzene;1-chloro-3-fluoro-2-methylbenzene;2-chloro-1-fluoro-3-methylbenzene;2-chloro-4-fluoro-1-methylbenzene;1-chloro-3-methoxy-2-methylbenzene;1-chloro-2-methylbenzene;1-chloro-4-methylbenzene;1,2-dichloro-3-methylbenzene;1,3-dichloro-2-methylbenzene;1,4-dichloro-2-methylbenzene;1,3-difluoro-2-methylbenzene;1-fluoro-2,3-dimethylbenzene;1-fluoro-2-methyl-3-(trifluoromethyl)benzene;2-methylfuran;5-methyl-1H-imidazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;2-methyl-1H-pyrrole;2-methylthiophene;toluene;1,2,3-trimethylbenzene;1,3-xylene?
The InChIKey is AINXLQGJMRNQMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12.C8H9ClO.3C8H9Cl.C8H6F4.C8H9F.C8H10.C7H6BrCl.3C7H6Cl2.3C7H6ClF.2C7H7Cl.C7H6F2.C7H8.3C6H7N.C5H6N2.C5H7N.C5H6O.C5H6S.C4H6N2/c1-7-5-4-6-8(2)9(7)3;1-6-7(9)4-3-5-8(6)10-2;1-6-3-4-8(9)5-7(6)2;2*1-6-4-3-5-8(9)7(6)2;1-5-6(8(10,11)12)3-2-4-7(5)9;1-6-4-3-5-8(9)7(6)2;1-7-4-3-5-8(2)6-7;1-5-6(8)3-2-4-7(5)9;1-5-4-6(8)2-3-7(5)9;1-5-6(8)3-2-4-7(5)9;1-5-3-2-4-6(8)7(5)9;1-5-2-3-6(9)4-7(5)8;1-5-6(8)3-2-4-7(5)9;1-5-3-2-4-6(9)7(5)8;1-6-2-4-7(8)5-3-6;1-6-4-2-3-5-7(6)8;1-5-6(8)3-2-4-7(5)9;1-7-5-3-2-4-6-7;1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;1-5-6-3-2-4-7-5;3*1-5-3-2-4-6-5;1-4-2-5-3-6-4/h4-6H,1-3H3;3-5H,1-2H3;3*3-5H,1-2H3;2-4H,1H3;3-5H,1-2H3;3-6H,1-2H3;7*2-4H,1H3;2*2-5H,1H3;2-4H,1H3;2-6H,1H3;3*2-5H,1H3;2-4H,1H3;2-4,6H,1H3;2*2-4H,1H3;2-3H,1H3,(H,5,6).
What are the key properties of 1-bromo-3-chloro-2-methylbenzene;bis(1-chloro-2,3-dimethylbenzene);4-chloro-1,2-dimethylbenzene;1-chloro-3-fluoro-2-methylbenzene;2-chloro-1-fluoro-3-methylbenzene;2-chloro-4-fluoro-1-methylbenzene;1-chloro-3-methoxy-2-methylbenzene;1-chloro-2-methylbenzene;1-chloro-4-methylbenzene;1,2-dichloro-3-methylbenzene;1,3-dichloro-2-methylbenzene;1,4-dichloro-2-methylbenzene;1,3-difluoro-2-methylbenzene;1-fluoro-2,3-dimethylbenzene;1-fluoro-2-methyl-3-(trifluoromethyl)benzene;2-methylfuran;5-methyl-1H-imidazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;2-methyl-1H-pyrrole;2-methylthiophene;toluene;1,2,3-trimethylbenzene;1,3-xylene?
1-bromo-3-chloro-2-methylbenzene;bis(1-chloro-2,3-dimethylbenzene);4-chloro-1,2-dimethylbenzene;1-chloro-3-fluoro-2-methylbenzene;2-chloro-1-fluoro-3-methylbenzene;2-chloro-4-fluoro-1-methylbenzene;1-chloro-3-methoxy-2-methylbenzene;1-chloro-2-methylbenzene;1-chloro-4-methylbenzene;1,2-dichloro-3-methylbenzene;1,3-dichloro-2-methylbenzene;1,4-dichloro-2-methylbenzene;1,3-difluoro-2-methylbenzene;1-fluoro-2,3-dimethylbenzene;1-fluoro-2-methyl-3-(trifluoromethyl)benzene;2-methylfuran;5-methyl-1H-imidazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;2-methyl-1H-pyrrole;2-methylthiophene;toluene;1,2,3-trimethylbenzene;1,3-xylene has a molecular weight of 3419.84 g/mol, XLogP of 63.92, 1 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-chloro-2-methylbenzene;bis(1-chloro-2,3-dimethylbenzene);4-chloro-1,2-dimethylbenzene;1-chloro-3-fluoro-2-methylbenzene;2-chloro-1-fluoro-3-methylbenzene;2-chloro-4-fluoro-1-methylbenzene;1-chloro-3-methoxy-2-methylbenzene;1-chloro-2-methylbenzene;1-chloro-4-methylbenzene;1,2-dichloro-3-methylbenzene;1,3-dichloro-2-methylbenzene;1,4-dichloro-2-methylbenzene;1,3-difluoro-2-methylbenzene;1-fluoro-2,3-dimethylbenzene;1-fluoro-2-methyl-3-(trifluoromethyl)benzene;2-methylfuran;5-methyl-1H-imidazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;2-methyl-1H-pyrrole;2-methylthiophene;toluene;1,2,3-trimethylbenzene;1,3-xylene is sourced from PubChem (CID 157126358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).