chempirical

2'-Chloro-biphenyl-3-carboxylic acid

C13H9ClO2CAS 168619-03-2232.66 g/mol

Open in Covalent MOL file
OOHCl
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
168619-03-2
SMILES
C1=CC=C(C(=C1)C2=CC(=CC=C2)C(=O)O)Cl
InChIKey
XGEMSZNXYHULJU-UHFFFAOYSA-N
InChI
InChI=1S/C13H9ClO2/c14-12-7-2-1-6-11(12)9-4-3-5-10(8-9)13(15)16/h1-8H,(H,15,16)

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Names and synonyms

1 names
  • 2'-Chlorobiphenyl-3-carboxylic acid

Work with 2'-Chloro-biphenyl-3-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

2'-Fluorobiphenyl-3-carboxylic acid103978-23-068 % similar [1,1′-Biphenyl]-3-carboxylic acid716-76-767 % similar 2′-Methoxy[1,1′-biphenyl]-3-carboxylic acid168618-47-163 % similar 2'-Trifluoromethyl-biphenyl-3-carboxylic acid168618-48-263 % similar 3-(3-Amino-2-hydroxyphenyl)benzoic acid376592-93-759 % similar Isophthalic acid121-91-558 % similar 3′-Fluoro[1,1′-biphenyl]-3-carboxylic acid168619-04-357 % similar 3'-Methyl-biphenyl-3-carboxylic acid158619-46-655 % similar

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

Same formula

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 4-(4-Chlorophenoxy)benzaldehyde61343-99-5

Elsewhere

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