1-(2-Chlorophenyl)-2-nitroethylene

C₈H₆ClNO₂CAS 3156-34-1183.59 g/mol

Open in Covalent MOL file

Alkene Aryl halide Nitro

Properties

Molecular formula: C₈H₆ClNO₂
Molar mass: 183.59 g/mol
Exact mass: 183.0087 Da
logP: 2.59Crippen estimate
Polar surface area: 43.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 2
Double bonds: EE/Z, in SMILES order

Hazards

Warning

H302 Harmful if swallowed90.7% of notifiers
H400 Very toxic to aquatic life90.7% of notifiers

Aggregated from 43 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P273, P301+P317, P330, P391, P501

Identifiers

CAS number

3156-34-1

SMILES

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

InChIKey

QHKJTRDWAZGBLR-AATRIKPKSA-N

InChI

InChI=1S/C8H6ClNO2/c9-8-4-2-1-3-7(8)5-6-10(11)12/h1-6H/b6-5+

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Names and synonyms

1 names

(E)-1-Chloro-2-(2-nitrovinyl)benzene

Work with 1-(2-Chlorophenyl)-2-nitroethylene

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

1,3-Dichloro-2-(2-nitroethenyl)benzene22482-43-571 % similar 2,4-Dichloro-1-(2-nitroethenyl)benzene18984-21-968 % similar 3,4-Dichloro-omega-nitrostyrene18984-16-260 % similar trans-2-Chloro-6-fluoro-beta-nitrostyrene60610-68-659 % similar 2-Methoxy-β-nitrostyrene3316-24-357 % similar β-Nitrostyrene102-96-556 % similar 4-(2-Nitrovinyl)indole49839-99-851 % similar 2-Chlorobenzaldehyde89-98-547 % similar

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

Same formula

4-Chloro-2-isocyanato-1-methoxybenzene55440-54-5 1-Chloro-4-(2-nitroethenyl)benzene706-07-0 6-Chloro-2H-1,4-benzoxazin-3(4H)-one7652-29-1

Elsewhere

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