3,4-Dichloro-omega-nitrostyrene

C₈H₅Cl₂NO₂CAS 18984-16-2218.03 g/mol

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Alkene Aryl halide Nitro

Properties

Molecular formula: C₈H₅Cl₂NO₂
Molar mass: 218.03 g/mol
Exact mass: 216.9697 Da
logP: 3.24Crippen estimate
Polar surface area: 43.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 2
Double bonds: EE/Z, in SMILES order

Identifiers

CAS number

18984-16-2

SMILES

C1=CC(=C(C=C1/C=C/[N+](=O)[O-])Cl)Cl

InChIKey

XHGCFWXSHIHYFH-ONEGZZNKSA-N

InChI

InChI=1S/C8H5Cl2NO2/c9-7-2-1-6(5-8(7)10)3-4-11(12)13/h1-5H/b4-3+

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Names and synonyms

1 names

1,2-Dichloro-4-[(E)-2-nitroethenyl]benzene

Work with 3,4-Dichloro-omega-nitrostyrene

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)benzene706-07-062 % similar 1-(2-Chlorophenyl)-2-nitroethylene3156-34-160 % similar β-Nitrostyrene102-96-553 % similar 4-Hydroxy-B-nitrostyrene3179-08-653 % similar 1-Fluoro-4-(2-nitroethenyl)benzene706-08-153 % similar 5-(2-Nitroethenyl)-1,3-benzodioxole1485-00-353 % similar 3,4-Dimethoxy-B-nitrostyrene4230-93-753 % similar 1-Methoxy-3-(2-nitrovinyl)benzene3179-09-751 % similar

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

Same formula

2,4-Dichloro-1-(2-nitroethenyl)benzene18984-21-9 1,3-Dichloro-2-(2-nitroethenyl)benzene22482-43-5

Elsewhere

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