2-Cyano-6-fluorobenzoic acid

C₈H₄FNO₂CAS 887266-96-8165.12 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

887266-96-8

SMILES

N#Cc1cccc(F)c1C(=O)O

InChIKey

KBJBENDDHRHXIK-UHFFFAOYSA-N

InChI

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

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

Names and synonyms

1 names

Benzoic acid, 2-cyano-6-fluoro-

Work with 2-Cyano-6-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

2,6-Difluorobenzoic acid385-00-266 % similar 3-Fluorophthalic acid1583-67-158 % similar 2-Chloro-6-fluorobenzoic acid434-75-357 % similar 2-Fluoro-6-iodobenzoic acid111771-08-555 % similar 2-Fluoro-6-(trifluoromethyl)benzoic acid32890-94-153 % similar 2-Fluorobenzonitrile394-47-852 % similar 2-Fluoro-6-methoxybenzoic acid137654-21-851 % similar 2,3-Difluorobenzonitrile21524-39-050 % similar

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

Same formula

4-Cyano-2-fluorobenzoic acid164149-28-4 4-Cyano-3-fluorobenzoic acid176508-81-9

Elsewhere

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