chempirical

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

C8H6ClNO2CAS 706-07-0183.59 g/mol

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

Properties

Molecular formula
C8H6ClNO2
Molar mass
183.59 g/mol
Exact mass
183.0087 Da
Melting point
111–112 °C
logP
2.59Crippen estimate
Polar surface area
43.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Identifiers

CAS number
706-07-0
SMILES
O=[N+]([O-])C=Cc1ccc(Cl)cc1
InChIKey
GLJATYFHELDGEA-UHFFFAOYSA-N
InChI
InChI=1S/C8H6ClNO2/c9-8-3-1-7(2-4-8)5-6-10(11)12/h1-6H

Weigh it out

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

Names and synonyms

13 names · show all
  • Benzene, 1-chloro-4-(2-nitroethenyl)-
  • Styrene, p-chloro-β-nitro-
  • p-Chloro-β-nitrostyrene
  • 4-Chloro-β-nitrostyrene
  • 4-Chloro-ω-nitrostyrene
  • 1-(p-Chlorophenyl)-2-nitroethene
  • NSC 2547
  • 1-(2-Nitrovinyl)-4-chlorobenzene
  • 2-(4-Chlorophenyl)-1-nitroethene
  • 1-(4-Chlorophenyl)-2-nitroethene
  • 1-Chloro-4-(2-nitrovinyl)benzene
  • 1-Nitro-2-(4-chlorophenyl)ethylene
  • 4-Chloromethyl-β-nitrostyrene

Work with 1-Chloro-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

Same formula

4-Chloro-2-isocyanato-1-methoxybenzene55440-54-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook