chempirical

4'-Chloro-biphenyl-2-carboxylic acid

C13H9ClO2CAS 7079-15-4232.66 g/mol

Open in Covalent MOL file
ClOOH
Aryl halideCarboxylic 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 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
7079-15-4
SMILES
C1=CC=C(C(=C1)C2=CC=C(C=C2)Cl)C(=O)O
InChIKey
LCDIWTLDJLGFKG-UHFFFAOYSA-N
InChI
InChI=1S/C13H9ClO2/c14-10-7-5-9(6-8-10)11-3-1-2-4-12(11)13(15)16/h1-8H,(H,15,16)

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Names and synonyms

1 names
  • 4'-Chloro-[1,1'-biphenyl]-2-carboxylic acid

Work with 4'-Chloro-biphenyl-2-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

1-Biphenyl-2-carboxylic acid947-84-271 % similar 4′-Fluoro[1,1′-biphenyl]-2-carboxylic acid1841-57-266 % similar 4′-Methyl[1,1′-biphenyl]-2-carboxylic acid7148-03-066 % similar Diphenic acid482-05-363 % similar 4′-(Trifluoromethyl)[1,1′-biphenyl]-2-carboxylic acid84392-17-661 % similar 2-(4-Chlorobenzoyl)benzoic acid85-56-359 % similar 2-(3-Fluorophenyl)benzoic Acid2094-03-358 % similar 2-[2-(4-Chlorophenyl)acetyl]benzoic acid53242-76-555 % 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'-Chloro-biphenyl-4-carboxylic acid5748-41-4

Elsewhere

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