chempirical

1,3-Dichloro-2-(2-nitroethenyl)benzene

C8H5Cl2NO2CAS 22482-43-5218.03 g/mol

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

Properties

Molecular formula
C8H5Cl2NO2
Molar mass
218.03 g/mol
Exact mass
216.9697 Da
Melting point
63–64 °C
logP
3.24Crippen estimate
Polar surface area
43.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Identifiers

CAS number
22482-43-5
SMILES
O=[N+]([O-])C=Cc1c(Cl)cccc1Cl
InChIKey
VXNHQIKJDIOBEC-UHFFFAOYSA-N
InChI
InChI=1S/C8H5Cl2NO2/c9-7-2-1-3-8(10)6(7)4-5-11(12)13/h1-5H

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Names and synonyms

5 names
  • Benzene, 1,3-dichloro-2-(2-nitroethenyl)-
  • Styrene, 2,6-dichloro-β-nitro-
  • 2,6-Dichloro-β-nitrostyrene
  • NSC 122864
  • 1,3-Dichloro-2-(2-nitrovinyl)benzene

Work with 1,3-Dichloro-2-(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-Nitrostyrene102-96-553 % similar 1-Chloro-4-(2-nitroethenyl)benzene706-07-053 % similar 2-(2-Nitroethenyl)furan699-18-347 % similar 2-(2-Nitroethenyl)thiophene874-84-047 % similar 2-Methoxy-β-nitrostyrene3316-24-346 % similar 2-Chloro-6-nitrobenzaldehyde6361-22-445 % similar 1-Fluoro-4-(2-nitroethenyl)benzene706-08-144 % similar 1,3-Dichloro-2-nitrobenzene601-88-742 % similar

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

Same formula

2,4-Dichloro-1-(2-nitroethenyl)benzene18984-21-9

Elsewhere

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