2'-Fluorobiphenyl-3-carboxylic acid

C₁₃H₉FO₂CAS 103978-23-0216.21 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid

Properties

Molecular formula: C₁₃H₉FO₂
Molar mass: 216.21 g/mol
Exact mass: 216.0587 Da
logP: 3.19Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed50% of notifiers
H315 Causes skin irritation50% of notifiers
H319 Causes serious eye irritation50% of notifiers
H335 May cause respiratory irritation50% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

103978-23-0

SMILES

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

InChIKey

KJRAPRROUUCCPO-UHFFFAOYSA-N

InChI

InChI=1S/C13H9FO2/c14-12-7-2-1-6-11(12)9-4-3-5-10(8-9)13(15)16/h1-8H,(H,15,16)

Weigh it out

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Work with 2'-Fluorobiphenyl-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'-Chloro-biphenyl-3-carboxylic acid168619-03-268 % similar Ataluren775304-57-965 % similar 2'-Trifluoromethyl-biphenyl-3-carboxylic acid168618-48-263 % similar [1,1′-Biphenyl]-3-carboxylic acid716-76-763 % similar 2′-Methoxy[1,1′-biphenyl]-3-carboxylic acid168618-47-160 % similar 3-(3-Amino-2-hydroxyphenyl)benzoic acid376592-93-756 % similar 3-Fluorobenzoic acid455-38-956 % similar Isophthalic acid121-91-555 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4′-Fluoro[1,1′-biphenyl]-3-carboxylic acid10540-39-3 4-(4-Fluorophenoxy)benzaldehyde137736-06-2 3′-Fluoro[1,1′-biphenyl]-3-carboxylic acid168619-04-3 4′-Fluoro[1,1′-biphenyl]-2-carboxylic acid1841-57-2 3′-Fluoro[1,1′-biphenyl]-4-carboxylic acid1841-58-3 2-(3-Fluorophenyl)benzoic Acid2094-03-3 4-Fluoro-4'-hydroxybenzophenone25913-05-7 2'-Fluorobiphenyl-4-carboxylic acid365-12-8

Elsewhere

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