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Substance Name: Acetonitrile, (5-(4-chlorophenyl)-3-oxo-2(3H)-furanylidene)-
RN: 97180-87-5
InChIKey: VXYQRSKCTQIOBA-VZUCSPMQSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H6-Cl-N-O2

Molecular Weight

  • 231.6374
 
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Names and Synonyms

Synonyms

  • (5-(4-Chlorophenyl)-3-oxo-2(3H)-furanylidene)acetonitrile
  • BRN 5014592

Systematic Name

  • Acetonitrile, (5-(4-chlorophenyl)-3-oxo-2(3H)-furanylidene)-

Registry Numbers

CAS Registry Number

  • 97180-87-5

System Generated Number

  • 0097180875

Structure Descriptors

InChI

1S/C12H6ClNO2/c13-9-3-1-8(2-4-9)12-7-10(15)11(16-12)5-6-14/h1-5,7H/b11-5+

InChIKey

VXYQRSKCTQIOBA-VZUCSPMQSA-N

Smiles

C(\C=C1\OC(=CC1=O)c1ccc(cc1)Cl)#N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 600mg/kg (600mg/kg)   Pharmaceutical Chemistry Journal Vol. 25, Pg. 891, 1991.