4-bromo-1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole;4-bromo-1-(4-chloro-2-propan-2-ylphenyl)triazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-(difluoromethyl)triazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-methyltriazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-phenyltriazole;4-(4-chloro-2-propan-2-ylphenyl)-1-(difluoromethyl)pyrazole;1-(4-chloro-2-propan-2-ylphenyl)-4-(difluoromethyl)triazole;bis(1-(4-chloro-2-propan-2-ylphenyl)-4-(fluoromethyl)triazole);bis(1-(4-chloro-2-propan-2-ylphenyl)-4-methyltriazole);1-(4-chloro-2-propan-2-ylphenyl)-4-phenyltriazole;methane

C157H171Br2Cl12F12N35 — CID 158991042

IUPAC4-bromo-1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole;4-bromo-1-(4-chloro-2-propan-2-ylphenyl)triazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-(difluoromethyl)triazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-methyltriazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-phenyltriazole;4-(4-chloro-2-propan-2-ylphenyl)-1-(difluoromethyl)pyrazole;1-(4-chloro-2-propan-2-ylphenyl)-4-(difluoromethyl)triazole;bis(1-(4-chloro-2-propan-2-ylphenyl)-4-(fluoromethyl)triazole);bis(1-(4-chloro-2-propan-2-ylphenyl)-4-methyltriazole);1-(4-chloro-2-propan-2-ylphenyl)-4-phenyltriazole;methane
SMILESC.C.C.C.CC(C)c1c(-n2cc(-c3ccccc3)nn2)ccc(Cl)c1F.CC(C)c1c(-n2cc(Br)nn2)ccc(Cl)c1F.CC(C)c1c(-n2cc(C(F)F)nn2)ccc(Cl)c1F.CC(C)c1cc(Cl)ccc1-c1cnn(C(F)F)c1.CC(C)c1cc(Cl)ccc1-n1cc(-c2ccccc2)nn1.CC(C)c1cc(Cl)ccc1-n1cc(Br)nn1.CC(C)c1cc(Cl)ccc1-n1cc(C(F)F)nn1.CC(C)c1cc(Cl)ccc1-n1cc(CF)nn1.CC(C)c1cc(Cl)ccc1-n1cc(CF)nn1.Cc1cn(-c2ccc(Cl)c(F)c2C(C)C)nn1.Cc1cn(-c2ccc(Cl)cc2C(C)C)nn1.Cc1cn(-c2ccc(Cl)cc2C(C)C)nn1
InChIInChI=1S/C17H15ClFN3.C17H16ClN3.C13H13ClF2N2.C12H11ClF3N3.C12H12ClF2N3.3C12H13ClFN3.2C12H14ClN3.C11H10BrClFN3.C11H11BrClN3.4CH4/c1-11(2)16-15(9-8-13(18)17(16)19)22-10-14(20-21-22)12-6-4-3-5-7-12;1-12(2)15-10-14(18)8-9-17(15)21-11-16(19-20-21)13-6-4-3-5-7-13;1-8(2)12-5-10(14)3-4-11(12)9-6-17-18(7-9)13(15)16;1-6(2)10-9(4-3-7(13)11(10)14)19-5-8(12(15)16)17-18-19;1-7(2)9-5-8(13)3-4-11(9)18-6-10(12(14)15)16-17-18;1-7(2)11-10(5-4-9(13)12(11)14)17-6-8(3)15-16-17;2*1-8(2)11-5-9(13)3-4-12(11)17-7-10(6-14)15-16-17;2*1-8(2)11-6-10(13)4-5-12(11)16-7-9(3)14-15-16;1-6(2)10-8(4-3-7(13)11(10)14)17-5-9(12)15-16-17;1-7(2)9-5-8(13)3-4-10(9)16-6-11(12)14-15-16;;;;/h3-11H,1-2H3;3-12H,1-2H3;3-8,13H,1-2H3;3-6,12H,1-2H3;3-7,12H,1-2H3;4-7H,1-3H3;2*3-5,7-8H,6H2,1-2H3;2*4-8H,1-3H3;3-6H,1-2H3;3-7H,1-2H3;4*1H4
InChIKeyJQDXHGSNJREZOT-UHFFFAOYSA-N
MW3361.56 g/mol
LogP49.91
Rot. Bonds31

About 4-bromo-1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole;4-bromo-1-(4-chloro-2-propan-2-ylphenyl)triazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-(difluoromethyl)triazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-methyltriazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-phenyltriazole;4-(4-chloro-2-propan-2-ylphenyl)-1-(difluoromethyl)pyrazole;1-(4-chloro-2-propan-2-ylphenyl)-4-(difluoromethyl)triazole;bis(1-(4-chloro-2-propan-2-ylphenyl)-4-(fluoromethyl)triazole);bis(1-(4-chloro-2-propan-2-ylphenyl)-4-methyltriazole);1-(4-chloro-2-propan-2-ylphenyl)-4-phenyltriazole;methane

4-bromo-1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole;4-bromo-1-(4-chloro-2-propan-2-ylphenyl)triazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-(difluoromethyl)triazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-methyltriazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-phenyltriazole;4-(4-chloro-2-propan-2-ylphenyl)-1-(difluoromethyl)pyrazole;1-(4-chloro-2-propan-2-ylphenyl)-4-(difluoromethyl)triazole;bis(1-(4-chloro-2-propan-2-ylphenyl)-4-(fluoromethyl)triazole);bis(1-(4-chloro-2-propan-2-ylphenyl)-4-methyltriazole);1-(4-chloro-2-propan-2-ylphenyl)-4-phenyltriazole;methane (PubChem CID 158991042) has the molecular formula C157H171Br2Cl12F12N35 and a molecular weight of 3361.56 g/mol. Its IUPAC name is 4-bromo-1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole;4-bromo-1-(4-chloro-2-propan-2-ylphenyl)triazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-(difluoromethyl)triazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-methyltriazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-phenyltriazole;4-(4-chloro-2-propan-2-ylphenyl)-1-(difluoromethyl)pyrazole;1-(4-chloro-2-propan-2-ylphenyl)-4-(difluoromethyl)triazole;bis(1-(4-chloro-2-propan-2-ylphenyl)-4-(fluoromethyl)triazole);bis(1-(4-chloro-2-propan-2-ylphenyl)-4-methyltriazole);1-(4-chloro-2-propan-2-ylphenyl)-4-phenyltriazole;methane.

Molecular Properties

Compound Name4-bromo-1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole;4-bromo-1-(4-chloro-2-propan-2-ylphenyl)triazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-(difluoromethyl)triazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-methyltriazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-phenyltriazole;4-(4-chloro-2-propan-2-ylphenyl)-1-(difluoromethyl)pyrazole;1-(4-chloro-2-propan-2-ylphenyl)-4-(difluoromethyl)triazole;bis(1-(4-chloro-2-propan-2-ylphenyl)-4-(fluoromethyl)triazole);bis(1-(4-chloro-2-propan-2-ylphenyl)-4-methyltriazole);1-(4-chloro-2-propan-2-ylphenyl)-4-phenyltriazole;methane
PubChem CID158991042
Molecular FormulaC157H171Br2Cl12F12N35
Molecular Weight3361.56 g/mol
Exact Mass3351.89
IUPAC Name4-bromo-1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole;4-bromo-1-(4-chloro-2-propan-2-ylphenyl)triazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-(difluoromethyl)triazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-methyltriazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-phenyltriazole;4-(4-chloro-2-propan-2-ylphenyl)-1-(difluoromethyl)pyrazole;1-(4-chloro-2-propan-2-ylphenyl)-4-(difluoromethyl)triazole;bis(1-(4-chloro-2-propan-2-ylphenyl)-4-(fluoromethyl)triazole);bis(1-(4-chloro-2-propan-2-ylphenyl)-4-methyltriazole);1-(4-chloro-2-propan-2-ylphenyl)-4-phenyltriazole;methane
SMILESC.C.C.C.CC(C)c1c(-n2cc(-c3ccccc3)nn2)ccc(Cl)c1F.CC(C)c1c(-n2cc(Br)nn2)ccc(Cl)c1F.CC(C)c1c(-n2cc(C(F)F)nn2)ccc(Cl)c1F.CC(C)c1cc(Cl)ccc1-c1cnn(C(F)F)c1.CC(C)c1cc(Cl)ccc1-n1cc(-c2ccccc2)nn1.CC(C)c1cc(Cl)ccc1-n1cc(Br)nn1.CC(C)c1cc(Cl)ccc1-n1cc(C(F)F)nn1.CC(C)c1cc(Cl)ccc1-n1cc(CF)nn1.CC(C)c1cc(Cl)ccc1-n1cc(CF)nn1.Cc1cn(-c2ccc(Cl)c(F)c2C(C)C)nn1.Cc1cn(-c2ccc(Cl)cc2C(C)C)nn1.Cc1cn(-c2ccc(Cl)cc2C(C)C)nn1
InChIInChI=1S/C17H15ClFN3.C17H16ClN3.C13H13ClF2N2.C12H11ClF3N3.C12H12ClF2N3.3C12H13ClFN3.2C12H14ClN3.C11H10BrClFN3.C11H11BrClN3.4CH4/c1-11(2)16-15(9-8-13(18)17(16)19)22-10-14(20-21-22)12-6-4-3-5-7-12;1-12(2)15-10-14(18)8-9-17(15)21-11-16(19-20-21)13-6-4-3-5-7-13;1-8(2)12-5-10(14)3-4-11(12)9-6-17-18(7-9)13(15)16;1-6(2)10-9(4-3-7(13)11(10)14)19-5-8(12(15)16)17-18-19;1-7(2)9-5-8(13)3-4-11(9)18-6-10(12(14)15)16-17-18;1-7(2)11-10(5-4-9(13)12(11)14)17-6-8(3)15-16-17;2*1-8(2)11-5-9(13)3-4-12(11)17-7-10(6-14)15-16-17;2*1-8(2)11-6-10(13)4-5-12(11)16-7-9(3)14-15-16;1-6(2)10-8(4-3-7(13)11(10)14)17-5-9(12)15-16-17;1-7(2)9-5-8(13)3-4-10(9)16-6-11(12)14-15-16;;;;/h3-11H,1-2H3;3-12H,1-2H3;3-8,13H,1-2H3;3-6,12H,1-2H3;3-7,12H,1-2H3;4-7H,1-3H3;2*3-5,7-8H,6H2,1-2H3;2*4-8H,1-3H3;3-6H,1-2H3;3-7H,1-2H3;4*1H4
InChIKeyJQDXHGSNJREZOT-UHFFFAOYSA-N
XLogP49.91
TPSA355.63 Ų
H-Bond Donors
H-Bond Acceptors35
Rotatable Bonds31
Heavy Atoms218
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003361.56
LogP ≤ 549.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1035

Analyze 4-bromo-1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole;4-bromo-1-(4-chloro-2-propan-2-ylphenyl)triazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-(difluoromethyl)triazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-methyltriazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-phenyltriazole;4-(4-chloro-2-propan-2-ylphenyl)-1-(difluoromethyl)pyrazole;1-(4-chloro-2-propan-2-ylphenyl)-4-(difluoromethyl)triazole;bis(1-(4-chloro-2-propan-2-ylphenyl)-4-(fluoromethyl)triazole);bis(1-(4-chloro-2-propan-2-ylphenyl)-4-methyltriazole);1-(4-chloro-2-propan-2-ylphenyl)-4-phenyltriazole;methane with MolForge

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Related Compounds

1-[4-Chloro-2-[2-[3-chloro-5-[2-[5-chloro-2-[4-(trifluoromethyl)pyrazol-1-yl]phenyl]propyl]-2-fluoro-6-(4-methyltriazol-1-yl)phenyl]propyl]-6-propan-2-ylphenyl]-4-methyltriazole
CID 134535121
1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-(fluoromethyl)triazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-methyltriazole;4-(4-chloro-2-propan-2-ylphenyl)-1-(difluoromethyl)-4H-pyrazol-1-ium;1-(4-chloro-2-propan-2-ylphenyl)-4-(difluoromethyl)triazole;1-(4-chloro-2-propan-2-ylphenyl)-4-(fluoromethyl)triazole;1-(4-chloro-2-propan-2-ylphenyl)-4-methyltriazole;1-(4-chloro-2-propan-2-ylphenyl)triazol-4-ol;1-(4-chloro-2-propan-2-ylphenyl)-4-(trifluoromethyl)pyrazole
CID 157149446
4-(2-Chloro-4-propan-2-ylphenyl)-1-methylpyrazole;4-(3-chloro-4-propan-2-ylphenyl)-1-methylpyrazole;4-(2,3-difluoro-5-propan-2-ylphenyl)-1-methylpyrazole;4-(3-fluoro-5-propan-2-ylphenyl)-1-methylpyrazole;4-(4-fluoro-3-propan-2-ylphenyl)-1-methylpyrazole;4-(3-fluoro-4-propan-2-ylphenyl)-2-methyltriazole;4-(3-fluoro-4-propan-2-ylphenyl)-1-methyl-3-(trifluoromethyl)pyrazole;1-methyl-4-(4-propan-2-ylphenyl)-5-(trifluoromethyl)pyrazole
CID 157185778
1-(4-Chloro-3-fluoro-2-propan-2-ylphenyl)-4-cyclopropyltriazole;bis(1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-methyltriazole);1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-phenyltriazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-(trifluoromethyl)triazole;1-(4-chloro-2-propan-2-ylphenyl)-4-cyclopropyltriazole;bis(1-(4-chloro-2-propan-2-ylphenyl)-4-methyltriazole);1-(4-chloro-2-propan-2-ylphenyl)-4-phenyltriazole;1-(4-chloro-2-propan-2-ylphenyl)triazole-4-carbonitrile;1-(4-chloro-2-propan-2-ylphenyl)-4-(trifluoromethyl)triazole
CID 157307534
Bis(1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-ethenylpyrazole);1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)tetrazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-1,2,4-triazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-(trifluoromethyl)pyrazole;1-(4-chloro-2-propan-2-ylphenyl)-3,4-dimethylpyrazole;1-(4-chloro-2-propan-2-ylphenyl)-4-ethenyl-3-methylpyrazole;tetrakis(1-(4-chloro-2-propan-2-ylphenyl)-4-ethenylpyrazole);1-(4-chloro-2-propan-2-ylphenyl)imidazole;1-(4-chloro-2-propan-2-ylphenyl)-4-methylimidazole;1-(4-chloro-2-propan-2-ylphenyl)triazole;1-(4-chloro-2-propan-2-ylphenyl)-4-(trifluoromethyl)imidazole;1-(4-chloro-2-propan-2-ylphenyl)-4-(trifluoromethyl)pyrazole
CID 157567724
4-Bromo-1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole;4-bromo-1-(4-chloro-2-propan-2-ylphenyl)triazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-cyclopropyltriazole;bis(1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-methyltriazole);1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-phenyltriazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole-4-carboxamide;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-(trifluoromethyl)triazole;1-(4-chloro-2-propan-2-ylphenyl)-4-cyclopropyltriazole;bis(1-(4-chloro-2-propan-2-ylphenyl)-4-methyltriazole);1-(4-chloro-2-propan-2-ylphenyl)-4-phenyltriazole;1-(4-chloro-2-propan-2-ylphenyl)-4-(trifluoromethyl)triazole
CID 157864452
4-Chloro-1-(4-chloro-2-propan-2-ylphenyl)triazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-cyclopropyltriazole;bis(1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-methyltriazole);1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-phenyltriazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole-4-carbonitrile;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-(trifluoromethyl)triazole;1-(4-chloro-2-propan-2-ylphenyl)-4-cyclopropyltriazole;bis(1-(4-chloro-2-propan-2-ylphenyl)-4-methyltriazole);1-(4-chloro-2-propan-2-ylphenyl)triazole-4-carbonitrile;1-(4-chloro-2-propan-2-ylphenyl)-4-(trifluoromethyl)triazole;methane
CID 157916895
4-chloro-1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole;4-(4-chloro-2-propan-2-ylphenyl)-1-(difluoromethyl)pyrazole;bis(4-(4-chloro-2-propan-2-ylphenyl)-1-ethenylpyrazole);4-(4-chloro-2-propan-2-ylphenyl)-1-ethylpyrazole;4-(4-chloro-2-propan-2-ylphenyl)-1-methylpyrazole;4-(4-chloro-2-propan-2-ylphenyl)-1-phenylpyrazole;4-(4-chloro-2-propan-2-ylphenyl)-1H-pyrazole;4-(4-chloro-2-propan-2-ylphenyl)-1-(trifluoromethyl)pyrazole;ethane
CID 158368975
1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-(fluoromethyl)triazole;bis(1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-methyltriazole);4-(4-chloro-2-propan-2-ylphenyl)-1-(difluoromethyl)-4H-pyrazol-1-ium;1-(4-chloro-2-propan-2-ylphenyl)-4-(difluoromethyl)triazole;1-(4-chloro-2-propan-2-ylphenyl)-4-(fluoromethyl)triazole;1-(4-chloro-2-propan-2-ylphenyl)triazol-4-ol;1-(4-chloro-2-propan-2-ylphenyl)-4-(trifluoromethyl)pyrazole
CID 158395231
CID 158457823
CID 158457823
4-chloro-1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole;4-chloro-1-(4-chloro-2-propan-2-ylphenyl)triazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-cyclopropyltriazole;bis(1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-methyltriazole);1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole-4-carbonitrile;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-(trifluoromethyl)triazole;1-(4-chloro-2-propan-2-ylphenyl)-4-cyclopropyltriazole;bis(1-(4-chloro-2-propan-2-ylphenyl)-4-methyltriazole);4-(4-chloro-2-propan-2-ylphenyl)-1-phenylpyrazole;4-(4-chloro-2-propan-2-ylphenyl)-1H-pyrazole;1-(4-chloro-2-propan-2-ylphenyl)triazole-4-carbonitrile;1-(4-chloro-2-propan-2-ylphenyl)-4-(trifluoromethyl)triazole;ethane
CID 158594741
4-chloro-1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole;4-chloro-1-(4-chloro-2-propan-2-ylphenyl)triazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-cyclopropyltriazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole-4-carbonitrile;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-(trifluoromethyl)triazole;bis(4-(4-chloro-2-propan-2-ylphenyl)-1-ethenylpyrazole);4-(4-chloro-2-propan-2-ylphenyl)-1-phenylpyrazole;4-(4-chloro-2-propan-2-ylphenyl)-1H-pyrazole;1-(4-chloro-2-propan-2-ylphenyl)triazole-4-carbonitrile;4-(4-chloro-2-propan-2-ylphenyl)-1-(trifluoromethyl)pyrazole;1-(4-chloro-2-propan-2-ylphenyl)-4-(trifluoromethyl)triazole;ethane
CID 158655157

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole;4-bromo-1-(4-chloro-2-propan-2-ylphenyl)triazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-(difluoromethyl)triazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-methyltriazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-phenyltriazole;4-(4-chloro-2-propan-2-ylphenyl)-1-(difluoromethyl)pyrazole;1-(4-chloro-2-propan-2-ylphenyl)-4-(difluoromethyl)triazole;bis(1-(4-chloro-2-propan-2-ylphenyl)-4-(fluoromethyl)triazole);bis(1-(4-chloro-2-propan-2-ylphenyl)-4-methyltriazole);1-(4-chloro-2-propan-2-ylphenyl)-4-phenyltriazole;methane?
The IUPAC name of 4-bromo-1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole;4-bromo-1-(4-chloro-2-propan-2-ylphenyl)triazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-(difluoromethyl)triazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-methyltriazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-phenyltriazole;4-(4-chloro-2-propan-2-ylphenyl)-1-(difluoromethyl)pyrazole;1-(4-chloro-2-propan-2-ylphenyl)-4-(difluoromethyl)triazole;bis(1-(4-chloro-2-propan-2-ylphenyl)-4-(fluoromethyl)triazole);bis(1-(4-chloro-2-propan-2-ylphenyl)-4-methyltriazole);1-(4-chloro-2-propan-2-ylphenyl)-4-phenyltriazole;methane (CID 158991042) is 4-bromo-1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole;4-bromo-1-(4-chloro-2-propan-2-ylphenyl)triazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-(difluoromethyl)triazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-methyltriazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-phenyltriazole;4-(4-chloro-2-propan-2-ylphenyl)-1-(difluoromethyl)pyrazole;1-(4-chloro-2-propan-2-ylphenyl)-4-(difluoromethyl)triazole;bis(1-(4-chloro-2-propan-2-ylphenyl)-4-(fluoromethyl)triazole);bis(1-(4-chloro-2-propan-2-ylphenyl)-4-methyltriazole);1-(4-chloro-2-propan-2-ylphenyl)-4-phenyltriazole;methane.
What is the SMILES notation for 4-bromo-1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole;4-bromo-1-(4-chloro-2-propan-2-ylphenyl)triazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-(difluoromethyl)triazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-methyltriazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-phenyltriazole;4-(4-chloro-2-propan-2-ylphenyl)-1-(difluoromethyl)pyrazole;1-(4-chloro-2-propan-2-ylphenyl)-4-(difluoromethyl)triazole;bis(1-(4-chloro-2-propan-2-ylphenyl)-4-(fluoromethyl)triazole);bis(1-(4-chloro-2-propan-2-ylphenyl)-4-methyltriazole);1-(4-chloro-2-propan-2-ylphenyl)-4-phenyltriazole;methane?
The canonical SMILES for 4-bromo-1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole;4-bromo-1-(4-chloro-2-propan-2-ylphenyl)triazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-(difluoromethyl)triazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-methyltriazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-phenyltriazole;4-(4-chloro-2-propan-2-ylphenyl)-1-(difluoromethyl)pyrazole;1-(4-chloro-2-propan-2-ylphenyl)-4-(difluoromethyl)triazole;bis(1-(4-chloro-2-propan-2-ylphenyl)-4-(fluoromethyl)triazole);bis(1-(4-chloro-2-propan-2-ylphenyl)-4-methyltriazole);1-(4-chloro-2-propan-2-ylphenyl)-4-phenyltriazole;methane is C.C.C.C.CC(C)c1c(-n2cc(-c3ccccc3)nn2)ccc(Cl)c1F.CC(C)c1c(-n2cc(Br)nn2)ccc(Cl)c1F.CC(C)c1c(-n2cc(C(F)F)nn2)ccc(Cl)c1F.CC(C)c1cc(Cl)ccc1-c1cnn(C(F)F)c1.CC(C)c1cc(Cl)ccc1-n1cc(-c2ccccc2)nn1.CC(C)c1cc(Cl)ccc1-n1cc(Br)nn1.CC(C)c1cc(Cl)ccc1-n1cc(C(F)F)nn1.CC(C)c1cc(Cl)ccc1-n1cc(CF)nn1.CC(C)c1cc(Cl)ccc1-n1cc(CF)nn1.Cc1cn(-c2ccc(Cl)c(F)c2C(C)C)nn1.Cc1cn(-c2ccc(Cl)cc2C(C)C)nn1.Cc1cn(-c2ccc(Cl)cc2C(C)C)nn1.
What is the InChIKey of 4-bromo-1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole;4-bromo-1-(4-chloro-2-propan-2-ylphenyl)triazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-(difluoromethyl)triazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-methyltriazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-phenyltriazole;4-(4-chloro-2-propan-2-ylphenyl)-1-(difluoromethyl)pyrazole;1-(4-chloro-2-propan-2-ylphenyl)-4-(difluoromethyl)triazole;bis(1-(4-chloro-2-propan-2-ylphenyl)-4-(fluoromethyl)triazole);bis(1-(4-chloro-2-propan-2-ylphenyl)-4-methyltriazole);1-(4-chloro-2-propan-2-ylphenyl)-4-phenyltriazole;methane?
The InChIKey is JQDXHGSNJREZOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClFN3.C17H16ClN3.C13H13ClF2N2.C12H11ClF3N3.C12H12ClF2N3.3C12H13ClFN3.2C12H14ClN3.C11H10BrClFN3.C11H11BrClN3.4CH4/c1-11(2)16-15(9-8-13(18)17(16)19)22-10-14(20-21-22)12-6-4-3-5-7-12;1-12(2)15-10-14(18)8-9-17(15)21-11-16(19-20-21)13-6-4-3-5-7-13;1-8(2)12-5-10(14)3-4-11(12)9-6-17-18(7-9)13(15)16;1-6(2)10-9(4-3-7(13)11(10)14)19-5-8(12(15)16)17-18-19;1-7(2)9-5-8(13)3-4-11(9)18-6-10(12(14)15)16-17-18;1-7(2)11-10(5-4-9(13)12(11)14)17-6-8(3)15-16-17;2*1-8(2)11-5-9(13)3-4-12(11)17-7-10(6-14)15-16-17;2*1-8(2)11-6-10(13)4-5-12(11)16-7-9(3)14-15-16;1-6(2)10-8(4-3-7(13)11(10)14)17-5-9(12)15-16-17;1-7(2)9-5-8(13)3-4-10(9)16-6-11(12)14-15-16;;;;/h3-11H,1-2H3;3-12H,1-2H3;3-8,13H,1-2H3;3-6,12H,1-2H3;3-7,12H,1-2H3;4-7H,1-3H3;2*3-5,7-8H,6H2,1-2H3;2*4-8H,1-3H3;3-6H,1-2H3;3-7H,1-2H3;4*1H4.
What are the key properties of 4-bromo-1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole;4-bromo-1-(4-chloro-2-propan-2-ylphenyl)triazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-(difluoromethyl)triazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-methyltriazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-phenyltriazole;4-(4-chloro-2-propan-2-ylphenyl)-1-(difluoromethyl)pyrazole;1-(4-chloro-2-propan-2-ylphenyl)-4-(difluoromethyl)triazole;bis(1-(4-chloro-2-propan-2-ylphenyl)-4-(fluoromethyl)triazole);bis(1-(4-chloro-2-propan-2-ylphenyl)-4-methyltriazole);1-(4-chloro-2-propan-2-ylphenyl)-4-phenyltriazole;methane?
4-bromo-1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole;4-bromo-1-(4-chloro-2-propan-2-ylphenyl)triazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-(difluoromethyl)triazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-methyltriazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-phenyltriazole;4-(4-chloro-2-propan-2-ylphenyl)-1-(difluoromethyl)pyrazole;1-(4-chloro-2-propan-2-ylphenyl)-4-(difluoromethyl)triazole;bis(1-(4-chloro-2-propan-2-ylphenyl)-4-(fluoromethyl)triazole);bis(1-(4-chloro-2-propan-2-ylphenyl)-4-methyltriazole);1-(4-chloro-2-propan-2-ylphenyl)-4-phenyltriazole;methane has a molecular weight of 3361.56 g/mol, XLogP of 49.91, 31 rotatable bonds, 0 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole;4-bromo-1-(4-chloro-2-propan-2-ylphenyl)triazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-(difluoromethyl)triazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-methyltriazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-phenyltriazole;4-(4-chloro-2-propan-2-ylphenyl)-1-(difluoromethyl)pyrazole;1-(4-chloro-2-propan-2-ylphenyl)-4-(difluoromethyl)triazole;bis(1-(4-chloro-2-propan-2-ylphenyl)-4-(fluoromethyl)triazole);bis(1-(4-chloro-2-propan-2-ylphenyl)-4-methyltriazole);1-(4-chloro-2-propan-2-ylphenyl)-4-phenyltriazole;methane is sourced from PubChem (CID 158991042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).