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Substance Name: NSC102224
RN: 737-44-0
InChIKey: XABHEHXHSDMSFU-MYCMRBOKSA-N

Molecular Formula

  • C16-H13-Cl-N2-O2

Molecular Weight

  • 300.744
 
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Names and Synonyms

Results Name

  • NSC102224

Synonyms

  • BRN 2664980
  • NSC 102224

Systematic Names

  • 2,5-Cyclohexadiene-delta(sup 1,alpha)-acetonitrile, 2-chloro-alpha-(p-methoxyphenyl)-3-methyl-4-oxo-, oxime
  • 2,5-Cyclohexadiene-delta1,alpha-acetonitrile, 2-chloro-alpha-(p-methoxyphenyl)-3-methyl-4-oxo-, oxime (8CI)

Registry Numbers

CAS Registry Number

  • 737-44-0

System Generated Number

  • 0000737440

Structure Descriptors

InChI

1S/C16H13ClN2O2/c1-10-15(19-20)8-7-13(16(10)17)14(9-18)11-3-5-12(21-2)6-4-11/h3-8,20H,1-2H3/b14-13+,19-15-

InChIKey

XABHEHXHSDMSFU-MYCMRBOKSA-N

Smiles

C1(=C(\c2ccc(OC)cc2)C#N)\C(=C(\C(=N/O)C=C1)C)Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 56mg/kg (56mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#06111,