2'-Fluorobiphenyl-4-carboxylic acid

C₁₃H₉FO₂CAS 365-12-8216.21 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
H312 Harmful in contact with skin50% of notifiers
H315 Causes skin irritation50% of notifiers
H319 Causes serious eye irritation50% of notifiers
H332 Harmful if inhaled50% 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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

365-12-8

SMILES

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

InChIKey

SLKZDWAZOKIEEU-UHFFFAOYSA-N

InChI

InChI=1S/C13H9FO2/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

Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names

2'-Fluoro-biphenyl-4-carboxylic acid

Work with 2'-Fluorobiphenyl-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

2'-Chloro-biphenyl-4-carboxylic acid3808-93-361 % similar 2'-Trifluoromethylbiphenyl-4-carboxylic acid198205-79-761 % similar 1,2,4,5-Tetrakis(4-carboxyphenyl)benzene1078153-58-859 % 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 1-(2'-Fluoro-[1,1'-biphenyl]-4-yl)propan-1-one37989-92-756 % 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'-Fluorobiphenyl-3-carboxylic acid103978-23-0 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

Elsewhere

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