2'-Chloro-biphenyl-4-carboxylic acid

C₁₃H₉ClO₂CAS 3808-93-3232.66 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

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H332 Harmful if inhaled100% of notifiers

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, P501

Identifiers

CAS number

3808-93-3

SMILES

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

InChIKey

AOTYKBXXCYCXRZ-UHFFFAOYSA-N

InChI

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

Weigh it out

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Work with 2'-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

1,2,4,5-Tetrakis(4-carboxyphenyl)benzene1078153-58-865 % similar 4-(3,4-Dichlorophenyl)benzoic acid7111-64-063 % similar 2'-Fluorobiphenyl-4-carboxylic acid365-12-861 % similar (1,1'-Biphenyl)-4-carboxylic acid92-92-259 % similar [P-Terphenyl]-4,4''-dicarboxylic acid13653-84-457 % similar [1,1′-Biphenyl]-4,4′-dicarboxylic acid787-70-257 % similar 2'-Trifluoromethylbiphenyl-4-carboxylic acid198205-79-756 % similar 2'-Methoxy-biphenyl-4-carboxylic acid5728-32-556 % 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 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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