chempirical

4-(3,4-Dichlorophenyl)benzoic acid

C13H8Cl2O2CAS 7111-64-0267.10 g/mol

Open in Covalent MOL file
ClClOOH
Aryl halideCarboxylic acid

Properties

Molecular formula
C13H8Cl2O2
Molar mass
267.10 g/mol
Exact mass
265.9901 Da
logP
4.36Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
7111-64-0
SMILES
C1=CC(=CC=C1C2=CC(=C(C=C2)Cl)Cl)C(=O)O
InChIKey
NVYOOVLWXDVFAA-UHFFFAOYSA-N
InChI
InChI=1S/C13H8Cl2O2/c14-11-6-5-10(7-12(11)15)8-1-3-9(4-2-8)13(16)17/h1-7H,(H,16,17)

Weigh it out

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Work with 4-(3,4-Dichlorophenyl)benzoic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

3,4-Dichlorobenzoic acid51-44-573 % similar [P-Terphenyl]-4,4''-dicarboxylic acid13653-84-464 % similar [1,1′-Biphenyl]-4,4′-dicarboxylic acid787-70-264 % similar [1,1':3',1'':3'',1'''-Quaterphenyl]-4,4'''-dicarboxylic acid,5',5''-bis(4-carboxyphenyl)-1383925-31-263 % similar 1,3,5-Tris(4-carboxyphenyl)benzene50446-44-163 % similar 4-(4-(3,5-Bis(4-(4-carboxyphenyl)phenyl)phenyl)phenyl)benzoic acid911818-75-263 % similar 2'-Chloro-biphenyl-4-carboxylic acid3808-93-363 % similar 3'-Chloro-biphenyl-4-carboxylic acid5728-43-863 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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