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Substance Name: 4H-1-Benzopyran-2-carbonitrile, 8-bromo-6-methyl-4-oxo-
RN: 38243-63-9
InChIKey: UWMLCDSZGKJKIK-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C11-H6-Br-N-O2

Molecular Weight

  • 264.0774
 
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Names and Synonyms

Synonyms

  • 5-18-08-00340 (Beilstein Handbook Reference)
  • 8-Bromo-6-methyl-4-oxo-4H-1-benzopyran-2-carbonitrile
  • BRN 1376120

Systematic Name

  • 4H-1-Benzopyran-2-carbonitrile, 8-bromo-6-methyl-4-oxo-

Registry Numbers

CAS Registry Number

  • 38243-63-9

System Generated Number

  • 0038243639

Structure Descriptors

InChI

1S/C11H6BrNO2/c1-6-2-8-10(14)4-7(5-13)15-11(8)9(12)3-6/h2-4H,1H3

InChIKey

UWMLCDSZGKJKIK-UHFFFAOYSA-N

Smiles

Cc1cc2c(=O)cc(oc2c(c1)Br)C#N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 100mg/kg (100mg/kg)   Journal of Medicinal Chemistry. Vol. 15, Pg. 865, 1972.