4'-Chloro-biphenyl-4-carboxylic acid

C₁₃H₉ClO₂CAS 5748-41-4232.66 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid

Properties

Molecular formula: C₁₃H₉ClO₂
Molar mass: 232.66 g/mol
Exact mass: 232.0291 Da
logP: 3.71Crippen estimate
Polar surface area: 37.3 Å²
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

5748-41-4

SMILES

C1=CC(=CC=C1C2=CC=C(C=C2)Cl)C(=O)O

InChIKey

FIMRRWLTRBEAOM-UHFFFAOYSA-N

InChI

InChI=1S/C13H9ClO2/c14-12-7-5-10(6-8-12)9-1-3-11(4-2-9)13(15)16/h1-8H,(H,15,16)

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Names and synonyms

1 names

4-Biphenylcarboxylic acid, 4'-chloro-

Work with 4'-Chloro-biphenyl-4-carboxylic 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

4-Chlorobenzoic acid74-11-388 % similar [P-Terphenyl]-4,4''-dicarboxylic acid13653-84-475 % similar [1,1′-Biphenyl]-4,4′-dicarboxylic acid787-70-275 % similar [1,1':3',1'':3'',1'''-Quaterphenyl]-4,4'''-dicarboxylic acid,5',5''-bis(4-carboxyphenyl)-1383925-31-267 % similar 4',4'',4''',4''''-(Ethene-1,1,2,2-tetrayl)tetrabiphenyl-4-carboxylic acid1610858-96-267 % similar 1,3,5-Tris(4-carboxyphenyl)benzene50446-44-167 % similar 4′,4′′′,4′′′′′-Nitrilotris[[1,1′-biphenyl]-4-carboxylic acid]1239602-35-766 % similar [1,1′-Biphenyl]-4-carboxylic acid92-92-264 % similar

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

Same formula

2'-Chloro-biphenyl-3-carboxylic acid168619-03-2 3′-Chloro[1,1′-biphenyl]-3-carboxylic acid168619-06-5 p-Chlorophenyl benzoate2005-08-5 2'-Chloro-biphenyl-4-carboxylic acid3808-93-3 4-Chloro-4′-hydroxybenzophenone42019-78-3 4'-Chloro-biphenyl-3-carboxylic acid4655-10-1 3'-Chloro-biphenyl-4-carboxylic acid5728-43-8 4-(4-Chlorophenoxy)benzaldehyde61343-99-5

Elsewhere

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