4-Cyano-2-fluorobenzoic acid

C₈H₄FNO₂CAS 164149-28-4165.12 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid Nitrile

Properties

Molecular formula: C₈H₄FNO₂
Molar mass: 165.12 g/mol
Exact mass: 165.0226 Da
logP: 1.40Crippen estimate
Polar surface area: 61.1 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Identifiers

CAS number

164149-28-4

SMILES

N#Cc1ccc(C(=O)O)c(F)c1

InChIKey

KEJMSTJTAWACNI-UHFFFAOYSA-N

InChI

InChI=1S/C8H4FNO2/c9-7-3-5(4-10)1-2-6(7)8(11)12/h1-3H,(H,11,12)

Weigh it out

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

Names and synonyms

3 names

Benzoic acid, 4-cyano-2-fluoro-
2-Fluoro-4-cyanobenzoic acid
4-Carboxy-3-fluorobenzonitrile

Work with 4-Cyano-2-fluorobenzoic 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-4-cyanobenzoic acid117738-77-963 % similar 2-Fluoro-4-hydroxybenzoic acid65145-13-361 % similar 2,4-Difluorobenzoic acid1583-58-058 % similar 4-Bromo-2-fluorobenzoic acid112704-79-755 % similar 2-Fluoro-4-iodobenzoic acid124700-40-955 % similar 4-Chloro-2-fluorobenzoic acid446-30-055 % similar 2-Fluorobenzoic acid445-29-454 % similar 3,4-Difluorobenzonitrile64248-62-053 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

4-Cyano-3-fluorobenzoic acid176508-81-9 2-Cyano-6-fluorobenzoic acid887266-96-8

Elsewhere

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