2-Cyano-6-fluorobenzoic acid

C8H4FNO2CAS 887266-96-8165.12 g/mol

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NFOOH
Aryl halideCarboxylic acidNitrile

Properties

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

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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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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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-Bromo-6-fluorobenzoic acid2252-37-157 % similar 2-Chloro-6-fluorobenzoic acid434-75-357 % similar 2-Fluoro-6-hydroxybenzoic acid67531-86-657 % similar 2-Cyanobenzoic acid3839-22-356 % similar 2-Fluoro-6-iodobenzoic acid111771-08-555 % similar 2-Amino-6-fluorobenzoic acid434-76-455 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Cyano-2-fluorobenzoic acid164149-28-4 3-Cyano-4-fluorobenzoic acid171050-06-9 4-Cyano-3-fluorobenzoic acid176508-81-9 7-Fluoroisatin317-20-4 4-Fluoro-1H-indole-2,3-dione346-34-9 5-Fluoroisatin443-69-6

Elsewhere

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