2-(3-Fluorophenyl)benzoic Acid

C₁₃H₉FO₂CAS 2094-03-3216.21 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

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

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

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′-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 2-Chloro-5-fluorobenzoic acid2252-50-851 % 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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