4-bromo-2-chloro-1-methylbenzene;2-bromo-1,4-dimethylbenzene;4-bromo-1,2-dimethylbenzene;1-bromo-3-methylbenzene;1-bromo-4-methylbenzene;2-bromo-5-methylthiophene;1-chloro-2,4-dimethylbenzene;2-chloro-1,4-dimethylbenzene;1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;1-chloro-2-methyl-4-(trifluoromethyl)benzene;1-chloro-4-methyl-2-(trifluoromethyl)benzene;2-chloro-1-methyl-4-(trifluoromethyl)benzene;1-chloro-2,4,5-trimethylbenzene;1,2-dichloro-4-methylbenzene;1,2-dimethoxy-4-methylbenzene;1,4-dimethoxy-2-methylbenzene;4,6-dimethyl-2,3-dihydro-1,4-benzoxazine;1-ethenyl-4-methylbenzene;1-methoxy-2,4-dimethylbenzene;2-methoxy-1,4-dimethylbenzene;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;1-methyl-4-methylsulfonylbenzene;1-methylnaphthalene;2-methylnaphthalene;1-methyl-4-propylbenzene;1-methyl-4-(trifluoromethyl)benzene;1,2,4-trimethylbenzene

C240H264Br6Cl11F12NO11S2 — CID 159106561

IUPAC4-bromo-2-chloro-1-methylbenzene;2-bromo-1,4-dimethylbenzene;4-bromo-1,2-dimethylbenzene;1-bromo-3-methylbenzene;1-bromo-4-methylbenzene;2-bromo-5-methylthiophene;1-chloro-2,4-dimethylbenzene;2-chloro-1,4-dimethylbenzene;1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;1-chloro-2-methyl-4-(trifluoromethyl)benzene;1-chloro-4-methyl-2-(trifluoromethyl)benzene;2-chloro-1-methyl-4-(trifluoromethyl)benzene;1-chloro-2,4,5-trimethylbenzene;1,2-dichloro-4-methylbenzene;1,2-dimethoxy-4-methylbenzene;1,4-dimethoxy-2-methylbenzene;4,6-dimethyl-2,3-dihydro-1,4-benzoxazine;1-ethenyl-4-methylbenzene;1-methoxy-2,4-dimethylbenzene;2-methoxy-1,4-dimethylbenzene;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;1-methyl-4-methylsulfonylbenzene;1-methylnaphthalene;2-methylnaphthalene;1-methyl-4-propylbenzene;1-methyl-4-(trifluoromethyl)benzene;1,2,4-trimethylbenzene
SMILESC=Cc1ccc(C)cc1.CCCc1ccc(C)cc1.COc1cc(C)ccc1C.COc1ccc(C)cc1.COc1ccc(C)cc1C.COc1ccc(C)cc1OC.COc1ccc(OC)c(C)c1.COc1cccc(C)c1.Cc1cc(C(F)(F)F)ccc1Cl.Cc1cc(C)c(Cl)cc1C.Cc1ccc(Br)cc1.Cc1ccc(Br)cc1C.Cc1ccc(Br)cc1Cl.Cc1ccc(Br)s1.Cc1ccc(C(F)(F)F)cc1.Cc1ccc(C(F)(F)F)cc1Cl.Cc1ccc(C)c(Br)c1.Cc1ccc(C)c(C)c1.Cc1ccc(C)c(Cl)c1.Cc1ccc(Cl)c(C(F)(F)F)c1.Cc1ccc(Cl)c(C)c1.Cc1ccc(Cl)c(Cl)c1.Cc1ccc(Cl)cc1.Cc1ccc(S(C)(=O)=O)cc1.Cc1ccc2c(c1)N(C)CCO2.Cc1ccc2ccccc2c1.Cc1cccc(Br)c1.Cc1cccc(Cl)c1.Cc1cccc2ccccc12
InChIInChI=1S/2C11H10.C10H13NO.C10H14.C9H11Cl.2C9H12O2.2C9H12O.C9H12.C9H10.2C8H9Br.3C8H6ClF3.2C8H9Cl.C8H7F3.C8H10O2S.2C8H10O.C7H6BrCl.2C7H7Br.C7H6Cl2.2C7H7Cl.C5H5BrS/c1-9-5-4-7-10-6-2-3-8-11(9)10;1-9-6-7-10-4-2-3-5-11(10)8-9;1-8-3-4-10-9(7-8)11(2)5-6-12-10;1-3-4-10-7-5-9(2)6-8-10;1-6-4-8(3)9(10)5-7(6)2;1-7-6-8(10-2)4-5-9(7)11-3;1-7-4-5-8(10-2)9(6-7)11-3;1-7-4-5-9(10-3)8(2)6-7;1-7-4-5-8(2)9(6-7)10-3;1-7-4-5-8(2)9(3)6-7;1-3-9-6-4-8(2)5-7-9;1-6-3-4-8(9)5-7(6)2;1-6-3-4-7(2)8(9)5-6;1-5-4-6(8(10,11)12)2-3-7(5)9;1-5-2-3-6(4-7(5)9)8(10,11)12;1-5-2-3-7(9)6(4-5)8(10,11)12;1-6-3-4-8(9)7(2)5-6;1-6-3-4-7(2)8(9)5-6;1-6-2-4-7(5-3-6)8(9,10)11;1-7-3-5-8(6-4-7)11(2,9)10;1-7-3-5-8(9-2)6-4-7;1-7-4-3-5-8(6-7)9-2;1-5-2-3-6(8)4-7(5)9;1-6-2-4-7(8)5-3-6;1-6-3-2-4-7(8)5-6;1-5-2-3-6(8)7(9)4-5;1-6-2-4-7(8)5-3-6;1-6-3-2-4-7(8)5-6;1-4-2-3-5(6)7-4/h2*2-8H,1H3;3-4,7H,5-6H2,1-2H3;5-8H,3-4H2,1-2H3;4-5H,1-3H3;2*4-6H,1-3H3;2*4-6H,1-3H3;4-6H,1-3H3;3-7H,1H2,2H3;2*3-5H,1-2H3;3*2-4H,1H3;2*3-5H,1-2H3;2-5H,1H3;3-6H,1-2H3;2*3-6H,1-2H3;2-4H,1H3;2*2-5H,1H3;2-4H,1H3;2*2-5H,1H3;2-3H,1H3
InChIKeyKDYPQPFFYXEMLR-UHFFFAOYSA-N
MW4500.26 g/mol
LogP80.04
Rot. Bonds12

About 4-bromo-2-chloro-1-methylbenzene;2-bromo-1,4-dimethylbenzene;4-bromo-1,2-dimethylbenzene;1-bromo-3-methylbenzene;1-bromo-4-methylbenzene;2-bromo-5-methylthiophene;1-chloro-2,4-dimethylbenzene;2-chloro-1,4-dimethylbenzene;1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;1-chloro-2-methyl-4-(trifluoromethyl)benzene;1-chloro-4-methyl-2-(trifluoromethyl)benzene;2-chloro-1-methyl-4-(trifluoromethyl)benzene;1-chloro-2,4,5-trimethylbenzene;1,2-dichloro-4-methylbenzene;1,2-dimethoxy-4-methylbenzene;1,4-dimethoxy-2-methylbenzene;4,6-dimethyl-2,3-dihydro-1,4-benzoxazine;1-ethenyl-4-methylbenzene;1-methoxy-2,4-dimethylbenzene;2-methoxy-1,4-dimethylbenzene;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;1-methyl-4-methylsulfonylbenzene;1-methylnaphthalene;2-methylnaphthalene;1-methyl-4-propylbenzene;1-methyl-4-(trifluoromethyl)benzene;1,2,4-trimethylbenzene

4-bromo-2-chloro-1-methylbenzene;2-bromo-1,4-dimethylbenzene;4-bromo-1,2-dimethylbenzene;1-bromo-3-methylbenzene;1-bromo-4-methylbenzene;2-bromo-5-methylthiophene;1-chloro-2,4-dimethylbenzene;2-chloro-1,4-dimethylbenzene;1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;1-chloro-2-methyl-4-(trifluoromethyl)benzene;1-chloro-4-methyl-2-(trifluoromethyl)benzene;2-chloro-1-methyl-4-(trifluoromethyl)benzene;1-chloro-2,4,5-trimethylbenzene;1,2-dichloro-4-methylbenzene;1,2-dimethoxy-4-methylbenzene;1,4-dimethoxy-2-methylbenzene;4,6-dimethyl-2,3-dihydro-1,4-benzoxazine;1-ethenyl-4-methylbenzene;1-methoxy-2,4-dimethylbenzene;2-methoxy-1,4-dimethylbenzene;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;1-methyl-4-methylsulfonylbenzene;1-methylnaphthalene;2-methylnaphthalene;1-methyl-4-propylbenzene;1-methyl-4-(trifluoromethyl)benzene;1,2,4-trimethylbenzene (PubChem CID 159106561) has the molecular formula C240H264Br6Cl11F12NO11S2 and a molecular weight of 4500.26 g/mol. Its IUPAC name is 4-bromo-2-chloro-1-methylbenzene;2-bromo-1,4-dimethylbenzene;4-bromo-1,2-dimethylbenzene;1-bromo-3-methylbenzene;1-bromo-4-methylbenzene;2-bromo-5-methylthiophene;1-chloro-2,4-dimethylbenzene;2-chloro-1,4-dimethylbenzene;1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;1-chloro-2-methyl-4-(trifluoromethyl)benzene;1-chloro-4-methyl-2-(trifluoromethyl)benzene;2-chloro-1-methyl-4-(trifluoromethyl)benzene;1-chloro-2,4,5-trimethylbenzene;1,2-dichloro-4-methylbenzene;1,2-dimethoxy-4-methylbenzene;1,4-dimethoxy-2-methylbenzene;4,6-dimethyl-2,3-dihydro-1,4-benzoxazine;1-ethenyl-4-methylbenzene;1-methoxy-2,4-dimethylbenzene;2-methoxy-1,4-dimethylbenzene;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;1-methyl-4-methylsulfonylbenzene;1-methylnaphthalene;2-methylnaphthalene;1-methyl-4-propylbenzene;1-methyl-4-(trifluoromethyl)benzene;1,2,4-trimethylbenzene.

Molecular Properties

Compound Name4-bromo-2-chloro-1-methylbenzene;2-bromo-1,4-dimethylbenzene;4-bromo-1,2-dimethylbenzene;1-bromo-3-methylbenzene;1-bromo-4-methylbenzene;2-bromo-5-methylthiophene;1-chloro-2,4-dimethylbenzene;2-chloro-1,4-dimethylbenzene;1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;1-chloro-2-methyl-4-(trifluoromethyl)benzene;1-chloro-4-methyl-2-(trifluoromethyl)benzene;2-chloro-1-methyl-4-(trifluoromethyl)benzene;1-chloro-2,4,5-trimethylbenzene;1,2-dichloro-4-methylbenzene;1,2-dimethoxy-4-methylbenzene;1,4-dimethoxy-2-methylbenzene;4,6-dimethyl-2,3-dihydro-1,4-benzoxazine;1-ethenyl-4-methylbenzene;1-methoxy-2,4-dimethylbenzene;2-methoxy-1,4-dimethylbenzene;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;1-methyl-4-methylsulfonylbenzene;1-methylnaphthalene;2-methylnaphthalene;1-methyl-4-propylbenzene;1-methyl-4-(trifluoromethyl)benzene;1,2,4-trimethylbenzene
PubChem CID159106561
Molecular FormulaC240H264Br6Cl11F12NO11S2
Molecular Weight4500.26 g/mol
Exact Mass4486.11
IUPAC Name4-bromo-2-chloro-1-methylbenzene;2-bromo-1,4-dimethylbenzene;4-bromo-1,2-dimethylbenzene;1-bromo-3-methylbenzene;1-bromo-4-methylbenzene;2-bromo-5-methylthiophene;1-chloro-2,4-dimethylbenzene;2-chloro-1,4-dimethylbenzene;1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;1-chloro-2-methyl-4-(trifluoromethyl)benzene;1-chloro-4-methyl-2-(trifluoromethyl)benzene;2-chloro-1-methyl-4-(trifluoromethyl)benzene;1-chloro-2,4,5-trimethylbenzene;1,2-dichloro-4-methylbenzene;1,2-dimethoxy-4-methylbenzene;1,4-dimethoxy-2-methylbenzene;4,6-dimethyl-2,3-dihydro-1,4-benzoxazine;1-ethenyl-4-methylbenzene;1-methoxy-2,4-dimethylbenzene;2-methoxy-1,4-dimethylbenzene;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;1-methyl-4-methylsulfonylbenzene;1-methylnaphthalene;2-methylnaphthalene;1-methyl-4-propylbenzene;1-methyl-4-(trifluoromethyl)benzene;1,2,4-trimethylbenzene
SMILESC=Cc1ccc(C)cc1.CCCc1ccc(C)cc1.COc1cc(C)ccc1C.COc1ccc(C)cc1.COc1ccc(C)cc1C.COc1ccc(C)cc1OC.COc1ccc(OC)c(C)c1.COc1cccc(C)c1.Cc1cc(C(F)(F)F)ccc1Cl.Cc1cc(C)c(Cl)cc1C.Cc1ccc(Br)cc1.Cc1ccc(Br)cc1C.Cc1ccc(Br)cc1Cl.Cc1ccc(Br)s1.Cc1ccc(C(F)(F)F)cc1.Cc1ccc(C(F)(F)F)cc1Cl.Cc1ccc(C)c(Br)c1.Cc1ccc(C)c(C)c1.Cc1ccc(C)c(Cl)c1.Cc1ccc(Cl)c(C(F)(F)F)c1.Cc1ccc(Cl)c(C)c1.Cc1ccc(Cl)c(Cl)c1.Cc1ccc(Cl)cc1.Cc1ccc(S(C)(=O)=O)cc1.Cc1ccc2c(c1)N(C)CCO2.Cc1ccc2ccccc2c1.Cc1cccc(Br)c1.Cc1cccc(Cl)c1.Cc1cccc2ccccc12
InChIInChI=1S/2C11H10.C10H13NO.C10H14.C9H11Cl.2C9H12O2.2C9H12O.C9H12.C9H10.2C8H9Br.3C8H6ClF3.2C8H9Cl.C8H7F3.C8H10O2S.2C8H10O.C7H6BrCl.2C7H7Br.C7H6Cl2.2C7H7Cl.C5H5BrS/c1-9-5-4-7-10-6-2-3-8-11(9)10;1-9-6-7-10-4-2-3-5-11(10)8-9;1-8-3-4-10-9(7-8)11(2)5-6-12-10;1-3-4-10-7-5-9(2)6-8-10;1-6-4-8(3)9(10)5-7(6)2;1-7-6-8(10-2)4-5-9(7)11-3;1-7-4-5-8(10-2)9(6-7)11-3;1-7-4-5-9(10-3)8(2)6-7;1-7-4-5-8(2)9(6-7)10-3;1-7-4-5-8(2)9(3)6-7;1-3-9-6-4-8(2)5-7-9;1-6-3-4-8(9)5-7(6)2;1-6-3-4-7(2)8(9)5-6;1-5-4-6(8(10,11)12)2-3-7(5)9;1-5-2-3-6(4-7(5)9)8(10,11)12;1-5-2-3-7(9)6(4-5)8(10,11)12;1-6-3-4-8(9)7(2)5-6;1-6-3-4-7(2)8(9)5-6;1-6-2-4-7(5-3-6)8(9,10)11;1-7-3-5-8(6-4-7)11(2,9)10;1-7-3-5-8(9-2)6-4-7;1-7-4-3-5-8(6-7)9-2;1-5-2-3-6(8)4-7(5)9;1-6-2-4-7(8)5-3-6;1-6-3-2-4-7(8)5-6;1-5-2-3-6(8)7(9)4-5;1-6-2-4-7(8)5-3-6;1-6-3-2-4-7(8)5-6;1-4-2-3-5(6)7-4/h2*2-8H,1H3;3-4,7H,5-6H2,1-2H3;5-8H,3-4H2,1-2H3;4-5H,1-3H3;2*4-6H,1-3H3;2*4-6H,1-3H3;4-6H,1-3H3;3-7H,1H2,2H3;2*3-5H,1-2H3;3*2-4H,1H3;2*3-5H,1-2H3;2-5H,1H3;3-6H,1-2H3;2*3-6H,1-2H3;2-4H,1H3;2*2-5H,1H3;2-4H,1H3;2*2-5H,1H3;2-3H,1H3
InChIKeyKDYPQPFFYXEMLR-UHFFFAOYSA-N
XLogP80.04
TPSA120.45 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds12
Heavy Atoms283
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004500.26
LogP ≤ 580.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze 4-bromo-2-chloro-1-methylbenzene;2-bromo-1,4-dimethylbenzene;4-bromo-1,2-dimethylbenzene;1-bromo-3-methylbenzene;1-bromo-4-methylbenzene;2-bromo-5-methylthiophene;1-chloro-2,4-dimethylbenzene;2-chloro-1,4-dimethylbenzene;1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;1-chloro-2-methyl-4-(trifluoromethyl)benzene;1-chloro-4-methyl-2-(trifluoromethyl)benzene;2-chloro-1-methyl-4-(trifluoromethyl)benzene;1-chloro-2,4,5-trimethylbenzene;1,2-dichloro-4-methylbenzene;1,2-dimethoxy-4-methylbenzene;1,4-dimethoxy-2-methylbenzene;4,6-dimethyl-2,3-dihydro-1,4-benzoxazine;1-ethenyl-4-methylbenzene;1-methoxy-2,4-dimethylbenzene;2-methoxy-1,4-dimethylbenzene;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;1-methyl-4-methylsulfonylbenzene;1-methylnaphthalene;2-methylnaphthalene;1-methyl-4-propylbenzene;1-methyl-4-(trifluoromethyl)benzene;1,2,4-trimethylbenzene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-chloro-1-methylbenzene;2-bromo-1,4-dimethylbenzene;4-bromo-1,2-dimethylbenzene;1-bromo-3-methylbenzene;1-bromo-4-methylbenzene;2-bromo-5-methylthiophene;1-chloro-2,4-dimethylbenzene;2-chloro-1,4-dimethylbenzene;1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;1-chloro-2-methyl-4-(trifluoromethyl)benzene;1-chloro-4-methyl-2-(trifluoromethyl)benzene;2-chloro-1-methyl-4-(trifluoromethyl)benzene;1-chloro-2,4,5-trimethylbenzene;1,2-dichloro-4-methylbenzene;1,2-dimethoxy-4-methylbenzene;1,4-dimethoxy-2-methylbenzene;4,6-dimethyl-2,3-dihydro-1,4-benzoxazine;1-ethenyl-4-methylbenzene;1-methoxy-2,4-dimethylbenzene;2-methoxy-1,4-dimethylbenzene;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;1-methyl-4-methylsulfonylbenzene;1-methylnaphthalene;2-methylnaphthalene;1-methyl-4-propylbenzene;1-methyl-4-(trifluoromethyl)benzene;1,2,4-trimethylbenzene?
The IUPAC name of 4-bromo-2-chloro-1-methylbenzene;2-bromo-1,4-dimethylbenzene;4-bromo-1,2-dimethylbenzene;1-bromo-3-methylbenzene;1-bromo-4-methylbenzene;2-bromo-5-methylthiophene;1-chloro-2,4-dimethylbenzene;2-chloro-1,4-dimethylbenzene;1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;1-chloro-2-methyl-4-(trifluoromethyl)benzene;1-chloro-4-methyl-2-(trifluoromethyl)benzene;2-chloro-1-methyl-4-(trifluoromethyl)benzene;1-chloro-2,4,5-trimethylbenzene;1,2-dichloro-4-methylbenzene;1,2-dimethoxy-4-methylbenzene;1,4-dimethoxy-2-methylbenzene;4,6-dimethyl-2,3-dihydro-1,4-benzoxazine;1-ethenyl-4-methylbenzene;1-methoxy-2,4-dimethylbenzene;2-methoxy-1,4-dimethylbenzene;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;1-methyl-4-methylsulfonylbenzene;1-methylnaphthalene;2-methylnaphthalene;1-methyl-4-propylbenzene;1-methyl-4-(trifluoromethyl)benzene;1,2,4-trimethylbenzene (CID 159106561) is 4-bromo-2-chloro-1-methylbenzene;2-bromo-1,4-dimethylbenzene;4-bromo-1,2-dimethylbenzene;1-bromo-3-methylbenzene;1-bromo-4-methylbenzene;2-bromo-5-methylthiophene;1-chloro-2,4-dimethylbenzene;2-chloro-1,4-dimethylbenzene;1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;1-chloro-2-methyl-4-(trifluoromethyl)benzene;1-chloro-4-methyl-2-(trifluoromethyl)benzene;2-chloro-1-methyl-4-(trifluoromethyl)benzene;1-chloro-2,4,5-trimethylbenzene;1,2-dichloro-4-methylbenzene;1,2-dimethoxy-4-methylbenzene;1,4-dimethoxy-2-methylbenzene;4,6-dimethyl-2,3-dihydro-1,4-benzoxazine;1-ethenyl-4-methylbenzene;1-methoxy-2,4-dimethylbenzene;2-methoxy-1,4-dimethylbenzene;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;1-methyl-4-methylsulfonylbenzene;1-methylnaphthalene;2-methylnaphthalene;1-methyl-4-propylbenzene;1-methyl-4-(trifluoromethyl)benzene;1,2,4-trimethylbenzene.
What is the SMILES notation for 4-bromo-2-chloro-1-methylbenzene;2-bromo-1,4-dimethylbenzene;4-bromo-1,2-dimethylbenzene;1-bromo-3-methylbenzene;1-bromo-4-methylbenzene;2-bromo-5-methylthiophene;1-chloro-2,4-dimethylbenzene;2-chloro-1,4-dimethylbenzene;1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;1-chloro-2-methyl-4-(trifluoromethyl)benzene;1-chloro-4-methyl-2-(trifluoromethyl)benzene;2-chloro-1-methyl-4-(trifluoromethyl)benzene;1-chloro-2,4,5-trimethylbenzene;1,2-dichloro-4-methylbenzene;1,2-dimethoxy-4-methylbenzene;1,4-dimethoxy-2-methylbenzene;4,6-dimethyl-2,3-dihydro-1,4-benzoxazine;1-ethenyl-4-methylbenzene;1-methoxy-2,4-dimethylbenzene;2-methoxy-1,4-dimethylbenzene;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;1-methyl-4-methylsulfonylbenzene;1-methylnaphthalene;2-methylnaphthalene;1-methyl-4-propylbenzene;1-methyl-4-(trifluoromethyl)benzene;1,2,4-trimethylbenzene?
The canonical SMILES for 4-bromo-2-chloro-1-methylbenzene;2-bromo-1,4-dimethylbenzene;4-bromo-1,2-dimethylbenzene;1-bromo-3-methylbenzene;1-bromo-4-methylbenzene;2-bromo-5-methylthiophene;1-chloro-2,4-dimethylbenzene;2-chloro-1,4-dimethylbenzene;1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;1-chloro-2-methyl-4-(trifluoromethyl)benzene;1-chloro-4-methyl-2-(trifluoromethyl)benzene;2-chloro-1-methyl-4-(trifluoromethyl)benzene;1-chloro-2,4,5-trimethylbenzene;1,2-dichloro-4-methylbenzene;1,2-dimethoxy-4-methylbenzene;1,4-dimethoxy-2-methylbenzene;4,6-dimethyl-2,3-dihydro-1,4-benzoxazine;1-ethenyl-4-methylbenzene;1-methoxy-2,4-dimethylbenzene;2-methoxy-1,4-dimethylbenzene;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;1-methyl-4-methylsulfonylbenzene;1-methylnaphthalene;2-methylnaphthalene;1-methyl-4-propylbenzene;1-methyl-4-(trifluoromethyl)benzene;1,2,4-trimethylbenzene is C=Cc1ccc(C)cc1.CCCc1ccc(C)cc1.COc1cc(C)ccc1C.COc1ccc(C)cc1.COc1ccc(C)cc1C.COc1ccc(C)cc1OC.COc1ccc(OC)c(C)c1.COc1cccc(C)c1.Cc1cc(C(F)(F)F)ccc1Cl.Cc1cc(C)c(Cl)cc1C.Cc1ccc(Br)cc1.Cc1ccc(Br)cc1C.Cc1ccc(Br)cc1Cl.Cc1ccc(Br)s1.Cc1ccc(C(F)(F)F)cc1.Cc1ccc(C(F)(F)F)cc1Cl.Cc1ccc(C)c(Br)c1.Cc1ccc(C)c(C)c1.Cc1ccc(C)c(Cl)c1.Cc1ccc(Cl)c(C(F)(F)F)c1.Cc1ccc(Cl)c(C)c1.Cc1ccc(Cl)c(Cl)c1.Cc1ccc(Cl)cc1.Cc1ccc(S(C)(=O)=O)cc1.Cc1ccc2c(c1)N(C)CCO2.Cc1ccc2ccccc2c1.Cc1cccc(Br)c1.Cc1cccc(Cl)c1.Cc1cccc2ccccc12.
What is the InChIKey of 4-bromo-2-chloro-1-methylbenzene;2-bromo-1,4-dimethylbenzene;4-bromo-1,2-dimethylbenzene;1-bromo-3-methylbenzene;1-bromo-4-methylbenzene;2-bromo-5-methylthiophene;1-chloro-2,4-dimethylbenzene;2-chloro-1,4-dimethylbenzene;1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;1-chloro-2-methyl-4-(trifluoromethyl)benzene;1-chloro-4-methyl-2-(trifluoromethyl)benzene;2-chloro-1-methyl-4-(trifluoromethyl)benzene;1-chloro-2,4,5-trimethylbenzene;1,2-dichloro-4-methylbenzene;1,2-dimethoxy-4-methylbenzene;1,4-dimethoxy-2-methylbenzene;4,6-dimethyl-2,3-dihydro-1,4-benzoxazine;1-ethenyl-4-methylbenzene;1-methoxy-2,4-dimethylbenzene;2-methoxy-1,4-dimethylbenzene;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;1-methyl-4-methylsulfonylbenzene;1-methylnaphthalene;2-methylnaphthalene;1-methyl-4-propylbenzene;1-methyl-4-(trifluoromethyl)benzene;1,2,4-trimethylbenzene?
The InChIKey is KDYPQPFFYXEMLR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H10.C10H13NO.C10H14.C9H11Cl.2C9H12O2.2C9H12O.C9H12.C9H10.2C8H9Br.3C8H6ClF3.2C8H9Cl.C8H7F3.C8H10O2S.2C8H10O.C7H6BrCl.2C7H7Br.C7H6Cl2.2C7H7Cl.C5H5BrS/c1-9-5-4-7-10-6-2-3-8-11(9)10;1-9-6-7-10-4-2-3-5-11(10)8-9;1-8-3-4-10-9(7-8)11(2)5-6-12-10;1-3-4-10-7-5-9(2)6-8-10;1-6-4-8(3)9(10)5-7(6)2;1-7-6-8(10-2)4-5-9(7)11-3;1-7-4-5-8(10-2)9(6-7)11-3;1-7-4-5-9(10-3)8(2)6-7;1-7-4-5-8(2)9(6-7)10-3;1-7-4-5-8(2)9(3)6-7;1-3-9-6-4-8(2)5-7-9;1-6-3-4-8(9)5-7(6)2;1-6-3-4-7(2)8(9)5-6;1-5-4-6(8(10,11)12)2-3-7(5)9;1-5-2-3-6(4-7(5)9)8(10,11)12;1-5-2-3-7(9)6(4-5)8(10,11)12;1-6-3-4-8(9)7(2)5-6;1-6-3-4-7(2)8(9)5-6;1-6-2-4-7(5-3-6)8(9,10)11;1-7-3-5-8(6-4-7)11(2,9)10;1-7-3-5-8(9-2)6-4-7;1-7-4-3-5-8(6-7)9-2;1-5-2-3-6(8)4-7(5)9;1-6-2-4-7(8)5-3-6;1-6-3-2-4-7(8)5-6;1-5-2-3-6(8)7(9)4-5;1-6-2-4-7(8)5-3-6;1-6-3-2-4-7(8)5-6;1-4-2-3-5(6)7-4/h2*2-8H,1H3;3-4,7H,5-6H2,1-2H3;5-8H,3-4H2,1-2H3;4-5H,1-3H3;2*4-6H,1-3H3;2*4-6H,1-3H3;4-6H,1-3H3;3-7H,1H2,2H3;2*3-5H,1-2H3;3*2-4H,1H3;2*3-5H,1-2H3;2-5H,1H3;3-6H,1-2H3;2*3-6H,1-2H3;2-4H,1H3;2*2-5H,1H3;2-4H,1H3;2*2-5H,1H3;2-3H,1H3.
What are the key properties of 4-bromo-2-chloro-1-methylbenzene;2-bromo-1,4-dimethylbenzene;4-bromo-1,2-dimethylbenzene;1-bromo-3-methylbenzene;1-bromo-4-methylbenzene;2-bromo-5-methylthiophene;1-chloro-2,4-dimethylbenzene;2-chloro-1,4-dimethylbenzene;1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;1-chloro-2-methyl-4-(trifluoromethyl)benzene;1-chloro-4-methyl-2-(trifluoromethyl)benzene;2-chloro-1-methyl-4-(trifluoromethyl)benzene;1-chloro-2,4,5-trimethylbenzene;1,2-dichloro-4-methylbenzene;1,2-dimethoxy-4-methylbenzene;1,4-dimethoxy-2-methylbenzene;4,6-dimethyl-2,3-dihydro-1,4-benzoxazine;1-ethenyl-4-methylbenzene;1-methoxy-2,4-dimethylbenzene;2-methoxy-1,4-dimethylbenzene;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;1-methyl-4-methylsulfonylbenzene;1-methylnaphthalene;2-methylnaphthalene;1-methyl-4-propylbenzene;1-methyl-4-(trifluoromethyl)benzene;1,2,4-trimethylbenzene?
4-bromo-2-chloro-1-methylbenzene;2-bromo-1,4-dimethylbenzene;4-bromo-1,2-dimethylbenzene;1-bromo-3-methylbenzene;1-bromo-4-methylbenzene;2-bromo-5-methylthiophene;1-chloro-2,4-dimethylbenzene;2-chloro-1,4-dimethylbenzene;1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;1-chloro-2-methyl-4-(trifluoromethyl)benzene;1-chloro-4-methyl-2-(trifluoromethyl)benzene;2-chloro-1-methyl-4-(trifluoromethyl)benzene;1-chloro-2,4,5-trimethylbenzene;1,2-dichloro-4-methylbenzene;1,2-dimethoxy-4-methylbenzene;1,4-dimethoxy-2-methylbenzene;4,6-dimethyl-2,3-dihydro-1,4-benzoxazine;1-ethenyl-4-methylbenzene;1-methoxy-2,4-dimethylbenzene;2-methoxy-1,4-dimethylbenzene;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;1-methyl-4-methylsulfonylbenzene;1-methylnaphthalene;2-methylnaphthalene;1-methyl-4-propylbenzene;1-methyl-4-(trifluoromethyl)benzene;1,2,4-trimethylbenzene has a molecular weight of 4500.26 g/mol, XLogP of 80.04, 12 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-chloro-1-methylbenzene;2-bromo-1,4-dimethylbenzene;4-bromo-1,2-dimethylbenzene;1-bromo-3-methylbenzene;1-bromo-4-methylbenzene;2-bromo-5-methylthiophene;1-chloro-2,4-dimethylbenzene;2-chloro-1,4-dimethylbenzene;1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;1-chloro-2-methyl-4-(trifluoromethyl)benzene;1-chloro-4-methyl-2-(trifluoromethyl)benzene;2-chloro-1-methyl-4-(trifluoromethyl)benzene;1-chloro-2,4,5-trimethylbenzene;1,2-dichloro-4-methylbenzene;1,2-dimethoxy-4-methylbenzene;1,4-dimethoxy-2-methylbenzene;4,6-dimethyl-2,3-dihydro-1,4-benzoxazine;1-ethenyl-4-methylbenzene;1-methoxy-2,4-dimethylbenzene;2-methoxy-1,4-dimethylbenzene;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;1-methyl-4-methylsulfonylbenzene;1-methylnaphthalene;2-methylnaphthalene;1-methyl-4-propylbenzene;1-methyl-4-(trifluoromethyl)benzene;1,2,4-trimethylbenzene is sourced from PubChem (CID 159106561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).