2,4-Dichloro-1-(2-nitroethenyl)benzene

C₈H₅Cl₂NO₂CAS 18984-21-9218.03 g/mol

Open in Covalent MOL file

Alkene Aryl halide Nitro

Properties

Molecular formula: C₈H₅Cl₂NO₂
Molar mass: 218.03 g/mol
Exact mass: 216.9697 Da
Melting point: 110 °C
logP: 3.24Crippen estimate
Polar surface area: 43.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 2

Identifiers

CAS number

18984-21-9

SMILES

O=[N+]([O-])C=Cc1ccc(Cl)cc1Cl

InChIKey

LIWIJBBAMBDXME-UHFFFAOYSA-N

InChI

InChI=1S/C8H5Cl2NO2/c9-7-2-1-6(8(10)5-7)3-4-11(12)13/h1-5H

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Names and synonyms

6 names

Benzene, 2,4-dichloro-1-(2-nitroethenyl)-
Styrene, 2,4-dichloro-β-nitro-
2,4-Dichloro-β-nitrostyrene
NSC 81882
2,4-Dichloro-1-(2-nitrovinyl)benzene
1,3-Dichloro-4-(2-nitroethenyl)benzene

Work with 2,4-Dichloro-1-(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

1-Chloro-4-(2-nitroethenyl)benzene706-07-060 % similar 2,4-Dichlorobenzaldehyde874-42-051 % similar 3-(2,4-Dichlorophenyl)-2-propenoic acid1201-99-649 % similar 2,4-Dichloronitrobenzene611-06-347 % similar 1,4-Dichloro-2-nitrobenzene89-61-244 % similar β-Nitrostyrene102-96-543 % similar 2,4,6-Trichloronitrobenzene18708-70-843 % similar 4-Chloro-2-nitrobenzaldehyde5551-11-143 % similar

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

Same formula

1,3-Dichloro-2-(2-nitroethenyl)benzene22482-43-5

Elsewhere

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