chempirical

1-Fluoro-4-(2-nitroethenyl)benzene

C8H6FNO2CAS 706-08-1167.14 g/mol

Open in Covalent MOL file
ON+O−F
AlkeneAryl halideNitro

Properties

Molecular formula
C8H6FNO2
Molar mass
167.14 g/mol
Exact mass
167.0383 Da
Melting point
101–102.5 °C
logP
2.07Crippen estimate
Polar surface area
43.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Identifiers

CAS number
706-08-1
SMILES
O=[N+]([O-])C=Cc1ccc(F)cc1
InChIKey
VRFSQVFSQAYHRU-UHFFFAOYSA-N
InChI
InChI=1S/C8H6FNO2/c9-8-3-1-7(2-4-8)5-6-10(11)12/h1-6H

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Names and synonyms

10 names
  • Benzene, 1-fluoro-4-(2-nitroethenyl)-
  • Styrene, p-fluoro-β-nitro-
  • p-Fluoro-β-nitrostyrene
  • p-Fluoro-ω-nitrostyrene
  • 4-Fluoro-β-nitrostyrene
  • 1-Fluoro-4-(2-nitrovinyl)benzene
  • NSC 121154
  • 2-(4-Fluorophenyl)-1-nitroethene
  • 1-(4-Fluorophenyl)-2-nitroethene
  • 1-Nitro-2-(4-fluorophenyl)ethene

Work with 1-Fluoro-4-(2-nitroethenyl)benzene

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

β-Nitrostyrene102-96-563 % similar 1-Chloro-4-(2-nitroethenyl)benzene706-07-063 % similar 1-Methoxy-4-(2-nitroethenyl)benzene3179-10-057 % similar 5-(2-Nitroethenyl)-1,3-benzodioxole1485-00-349 % similar 3-(4-Fluorophenyl)-2-propenal24654-55-545 % similar 1,3-Dichloro-2-(2-nitroethenyl)benzene22482-43-544 % similar 2-(2-Nitroethenyl)furan699-18-343 % similar 2-(2-Nitroethenyl)thiophene874-84-043 % similar

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

Elsewhere

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