chempirical

3-Fluoro-4-formylbenzonitrile

C8H4FNOCAS 105942-10-7149.12 g/mol

Open in Covalent MOL file
NOF
AldehydeAryl halideNitrile

Properties

Molecular formula
C8H4FNO
Molar mass
149.12 g/mol
Exact mass
149.0277 Da
Melting point
76–77 °C
logP
1.51Crippen estimate
Polar surface area
40.9 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Identifiers

CAS number
105942-10-7
SMILES
N#Cc1ccc(C=O)c(F)c1
InChIKey
QXHUSGWCFSXQMF-UHFFFAOYSA-N
InChI
InChI=1S/C8H4FNO/c9-8-3-6(4-10)1-2-7(8)5-11/h1-3,5H

Weigh it out

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

Names and synonyms

3 names
  • Benzonitrile, 3-fluoro-4-formyl-
  • 2-Fluoro-4-cyanobenzaldehyde
  • 4-Cyano-2-fluorobenzaldehyde

Work with 3-Fluoro-4-formylbenzonitrile

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-Difluorobenzonitrile64248-62-058 % similar 2-Fluoro-4-hydroxybenzaldehyde348-27-656 % similar 4-Cyano-2-fluorophenol405-04-956 % similar 4-Formyl-3-methoxybenzonitrile21962-45-855 % similar 2,4-Difluorobenzaldehyde1550-35-255 % similar 2-Fluoro-1,4-benzenedicarbonitrile1897-53-655 % similar 4-Chloro-3-fluorobenzonitrile110888-15-851 % similar 4-Bromo-3-fluorobenzonitrile133059-44-651 % similar

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

Same formula

3-Fluoro-5-formylbenzonitrile1003708-42-6 2-Fluoro-4-formylbenzonitrile101048-76-4

Elsewhere

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