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

C8H6ClNO2CAS 706-07-0183.59 g/mol

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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

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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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

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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

Similar compounds

β-Nitrostyrene102-96-563 % similar 4-Hydroxy-B-nitrostyrene3179-08-663 % similar trans-4-Methyl-beta-nitrostyrene5153-68-463 % similar 1-Fluoro-4-(2-nitroethenyl)benzene706-08-163 % similar 3,4-Dichloro-omega-nitrostyrene18984-16-262 % similar 2,4-Dichloro-1-(2-nitroethenyl)benzene18984-21-960 % similar 1-Methoxy-4-(2-nitroethenyl)benzene3179-10-057 % similar 1,3-Dichloro-2-(2-nitroethenyl)benzene22482-43-553 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-(2-Chlorophenyl)-2-nitroethylene3156-34-1 4-Chloro-2-isocyanato-1-methoxybenzene55440-54-5 6-Chloro-2H-1,4-benzoxazin-3(4H)-one7652-29-1

Elsewhere

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