chempirical

2-Cyano-3-fluorophenol

C7H4FNOCAS 140675-43-0137.11 g/mol

Open in Covalent MOL file
NHOF
Aryl halideNitrilePhenol

Properties

Molecular formula
C7H4FNO
Molar mass
137.11 g/mol
Exact mass
137.0277 Da
logP
1.40Crippen estimate
Polar surface area
44.0 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
0

Identifiers

CAS number
140675-43-0
SMILES
N#Cc1c(O)cccc1F
InChIKey
YEBHNFDMNFHZFF-UHFFFAOYSA-N
InChI
InChI=1S/C7H4FNO/c8-6-2-1-3-7(10)5(6)4-9/h1-3,10H

Weigh it out

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

Names and synonyms

3 names
  • Benzonitrile, 2-fluoro-6-hydroxy-
  • 2-Fluoro-6-hydroxybenzonitrile
  • 6-Fluoro-2-hydroxybenzonitrile

Work with 2-Cyano-3-fluorophenol

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-Difluorobenzonitrile1897-52-569 % similar 3-Fluoro-1,2-benzenedicarbonitrile65610-13-160 % similar 2-Chloro-6-fluorobenzonitrile668-45-158 % similar 2-Amino-6-fluorobenzonitrile77326-36-456 % similar 2-Fluorophenol367-12-456 % similar 3,6-Dihydroxy-1,2-benzenedicarbonitrile4733-50-056 % similar 2-Fluoro-6-(trifluoromethyl)benzonitrile133116-83-353 % similar 2-Fluoro-6-methoxybenzonitrile94088-46-751 % similar

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

Same formula

4-Fluorophenyl isocyanate1195-45-5 2-Fluorophenyl isocyanate16744-98-2 3-Fluorophenyl isocyanate404-71-7 4-Cyano-2-fluorophenol405-04-9 2-Fluoro-4-hydroxybenzonitrile82380-18-5

Elsewhere

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