chempirical

4-Cyano-2-fluorophenol

C7H4FNOCAS 405-04-9137.11 g/mol

Open in Covalent MOL file
NOHF
Aryl halideNitrilePhenol

Properties

Molecular formula
C7H4FNO
Molar mass
137.11 g/mol
Exact mass
137.0277 Da
Melting point
134 °C
logP
1.40Crippen estimate
Polar surface area
44.0 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
0

Identifiers

CAS number
405-04-9
SMILES
N#Cc1ccc(O)c(F)c1
InChIKey
DPSSSDFTLVUJDH-UHFFFAOYSA-N
InChI
InChI=1S/C7H4FNO/c8-6-3-5(4-9)1-2-7(6)10/h1-3,10H

Weigh it out

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

Names and synonyms

4 names
  • Benzonitrile, 3-fluoro-4-hydroxy-
  • 3-Fluoro-4-hydroxybenzonitrile
  • 4-Hydroxy-3-fluorobenzonitrile
  • 2-Fluoro-4-cyanophenol

Work with 4-Cyano-2-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

3,4-Dihydroxybenzonitrile17345-61-864 % similar 3,4-Difluorobenzonitrile64248-62-064 % similar 2-Fluoro-1,4-benzenedicarbonitrile1897-53-660 % similar 4-Chloro-3-fluorobenzonitrile110888-15-856 % similar 4-Bromo-3-fluorobenzonitrile133059-44-656 % similar 3-Bromo-4-hydroxybenzonitrile2315-86-856 % similar 4-Amino-3-fluorobenzonitrile63069-50-156 % similar 3-Fluoro-4-formylbenzonitrile105942-10-756 % similar

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

Same formula

4-Fluorophenyl isocyanate1195-45-5 2-Cyano-3-fluorophenol140675-43-0 2-Fluorophenyl isocyanate16744-98-2 3-Fluorophenyl isocyanate404-71-7 2-Fluoro-4-hydroxybenzonitrile82380-18-5

Elsewhere

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