2-(3-Fluorophenyl)benzoic Acid

C13H9FO2CAS 2094-03-3216.21 g/mol

Open in Covalent MOL file
FOOH
Aryl halideCarboxylic 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 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

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

Precautionary statements

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

Identifiers

CAS number
2094-03-3
SMILES
C1=CC=C(C(=C1)C2=CC(=CC=C2)F)C(=O)O
InChIKey
GEZNPQHOTCPFEL-UHFFFAOYSA-N
InChI
InChI=1S/C13H9FO2/c14-10-5-3-4-9(8-10)11-6-1-2-7-12(11)13(15)16/h1-8H,(H,15,16)

Weigh it out

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Names and synonyms

1 names
  • 3'-Fluoro-biphenyl-2-carboxylic acid

Work with 2-(3-Fluorophenyl)benzoic 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 acid947-84-267 % similar Diphenic acid482-05-359 % similar 4'-Chloro-biphenyl-2-carboxylic acid7079-15-458 % similar 4′-Methyl[1,1′-biphenyl]-2-carboxylic acid7148-03-054 % similar 4′-(Trifluoromethyl)[1,1′-biphenyl]-2-carboxylic acid84392-17-654 % similar 4-Fluorophthalic acid320-97-853 % similar 3-Fluorobenzoic acid455-38-953 % similar 4-Fluoro-2-hydroxybenzoic acid345-29-953 % 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 4-Fluoro-4'-hydroxybenzophenone25913-05-7 2'-Fluorobiphenyl-4-carboxylic acid365-12-8

Elsewhere

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