2-(2-bromo-6-chlorophenyl)-4-chlorobenzoic acid

C13H7BrCl2O2 — CID 114269074

IUPAC2-(2-bromo-6-chlorophenyl)-4-chlorobenzoic acid
SMILESO=C(O)c1ccc(Cl)cc1-c1c(Cl)cccc1Br
InChIInChI=1S/C13H7BrCl2O2/c14-10-2-1-3-11(16)12(10)9-6-7(15)4-5-8(9)13(17)18/h1-6H,(H,17,18)
InChIKeyTYNWNJITLZPFQX-UHFFFAOYSA-N
MW346.01 g/mol
LogP5.12
Rot. Bonds2

About 2-(2-bromo-6-chlorophenyl)-4-chlorobenzoic acid

2-(2-bromo-6-chlorophenyl)-4-chlorobenzoic acid (PubChem CID 114269074) has the molecular formula C13H7BrCl2O2 and a molecular weight of 346.01 g/mol. Its IUPAC name is 2-(2-bromo-6-chlorophenyl)-4-chlorobenzoic acid.

Molecular Properties

Compound Name2-(2-bromo-6-chlorophenyl)-4-chlorobenzoic acid
PubChem CID114269074
Molecular FormulaC13H7BrCl2O2
Molecular Weight346.01 g/mol
Exact Mass343.90
IUPAC Name2-(2-bromo-6-chlorophenyl)-4-chlorobenzoic acid
SMILESO=C(O)c1ccc(Cl)cc1-c1c(Cl)cccc1Br
InChIInChI=1S/C13H7BrCl2O2/c14-10-2-1-3-11(16)12(10)9-6-7(15)4-5-8(9)13(17)18/h1-6H,(H,17,18)
InChIKeyTYNWNJITLZPFQX-UHFFFAOYSA-N
XLogP5.12
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.01
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-bromo-2,6-difluorophenyl)-4-chlorobenzoic acid
CID 114024727
4-chloro-2-phenylbenzoic acid
CID 11424784
4-chloro-2-(3,4,5-trichlorophenyl)benzoic acid
CID 134629032
4-chloro-2-(3-hydroxyphenyl)benzoic acid
CID 53224976
3-bromo-2-[(2,4-dichlorobenzoyl)amino]benzoic acid
CID 63112414
4-chloro-2-(4-chloro-2-methylphenyl)benzoic acid
CID 53226756
2-[2-(2-carboxyphenyl)-4-chlorophenyl]benzoic acid
CID 90412939
1-bromo-2-(2-bromophenyl)-3-chlorobenzene
CID 67154117
4-chloro-2-(2-methylphenyl)benzoic acid
CID 53224862
2-bromoterephthalic acid;4-chlorophthalic acid
CID 70572370
4-chloro-2-(3-chloro-4-fluorophenyl)benzoic acid
CID 53226934
2-(2-bromoanilino)-5-chlorobenzoic acid
CID 55225473

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-6-chlorophenyl)-4-chlorobenzoic acid?
The IUPAC name of 2-(2-bromo-6-chlorophenyl)-4-chlorobenzoic acid (CID 114269074) is 2-(2-bromo-6-chlorophenyl)-4-chlorobenzoic acid.
What is the SMILES notation for 2-(2-bromo-6-chlorophenyl)-4-chlorobenzoic acid?
The canonical SMILES for 2-(2-bromo-6-chlorophenyl)-4-chlorobenzoic acid is O=C(O)c1ccc(Cl)cc1-c1c(Cl)cccc1Br.
What is the InChIKey of 2-(2-bromo-6-chlorophenyl)-4-chlorobenzoic acid?
The InChIKey is TYNWNJITLZPFQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrCl2O2/c14-10-2-1-3-11(16)12(10)9-6-7(15)4-5-8(9)13(17)18/h1-6H,(H,17,18).
What are the key properties of 2-(2-bromo-6-chlorophenyl)-4-chlorobenzoic acid?
2-(2-bromo-6-chlorophenyl)-4-chlorobenzoic acid has a molecular weight of 346.01 g/mol, XLogP of 5.12, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-6-chlorophenyl)-4-chlorobenzoic acid is sourced from PubChem (CID 114269074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).