CAS 18984-16-2|1,2-dichloro-4-[(E)-2-nitroethenyl]benzene|1,2-dichloro-4-[(E)-2-nitroethenyl]benzene|1,2-dichloro-4-(2-nitrovinyl)benzene|1,2-dichloro-4-(2-nitroethenyl)benzene|1,2-dichloro-4-(2-nit...

General Information

Structure

Molecular Formula

C₈H₅Cl₂NO₂

Molecular Mass

218.0368

Exact Mass

216.96973377

Charge

InChI

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

InChIKey

XHGCFWXSHIHYFH-UHFFFAOYSA-N

Canonic Smiles

[O-][N+](=O)/C=C/c1ccc(c(c1)Cl)Cl

Isomeric Smiles

[N+](=O)(/C=C/c1cc(c(cc1)Cl)Cl)[O-]

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

3.3447373

LogD (pH = 7.4)

3.3447373

Log P

3.3447373

Molar Refractivity

50.6537

Polarizability

19.61029

Polar Surface Area

43.14

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC name

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

IUPAC Traditional name

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

Synonyms

1,2-dichloro-4-(2-nitrovinyl)benzenetrans-3,4-Dichloro-beta-nitrostyrene-98%1,2-Dichloro-4-[(E)-2-nitroethenyl]benzene3,4-Dichloro-beta-nitrostyrene1-(3,4-Dichlorophenyl)-2-nitroethylene1-(3,4-Dichlorophenyl)-2-nitroethene3,4-二氯-β-硝基苯乙烯反-3,4-二氯-β-硝基苯乙烯trans-3,4-Dichloro-β-nitrostyrene

Names and Identifiers

Registration numbers

CAS Number

MDL Number

EC Number

Beilstein Number

PubChem CID