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Substance Name: Hydrocinnamonitrile, alpha-chloro-p-nitro-
RN: 17849-31-9
InChIKey: MZPNWHGZPIHRNC-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C9-H7-Cl-N2-O2

Molecular Weight

  • 210.619
 
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Names and Synonyms

Synonyms

  • 4-09-00-01776 (Beilstein Handbook Reference)
  • alpha-Chloro-p-nitrohydrocinnamonitrile
  • BRN 1963899

Systematic Name

  • Hydrocinnamonitrile, alpha-chloro-p-nitro-

Registry Numbers

CAS Registry Number

  • 17849-31-9

System Generated Number

  • 0017849319

Structure Descriptors

InChI

1S/C9H7ClN2O2/c10-8(6-11)5-7-1-3-9(4-2-7)12(13)14/h1-4,8H,5H2

InChIKey

MZPNWHGZPIHRNC-UHFFFAOYSA-N

Smiles

c1cc(ccc1[N+](=O)[O-])C[C@@H](C#N)Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 100mg/kg (100mg/kg)   Russian Pharmacology and Toxicology Vol. 46, Pg. 174, 1983.