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Substance Name: 2H-1-Benzopyran-3-carbonitrile, 6-bromo-
RN: 57543-68-7
InChIKey: SIAGUJHXCCKDQM-UHFFFAOYSA-N

Molecular Formula

  • C10-H6-Br-N-O

Molecular Weight

  • 236.067
 
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Names and Synonyms

Synonyms

  • 5-18-06-00446 (Beilstein Handbook Reference)
  • 6-Bromo-2H-1-benzopyran-3-carbonitrile
  • BRN 1370600

Systematic Name

  • 2H-1-Benzopyran-3-carbonitrile, 6-bromo-

Registry Numbers

CAS Registry Number

  • 57543-68-7

System Generated Number

  • 0057543687

Structure Descriptors

InChI

1S/C10H6BrNO/c11-9-1-2-10-8(4-9)3-7(5-12)6-13-10/h1-4H,6H2

InChIKey

SIAGUJHXCCKDQM-UHFFFAOYSA-N

Smiles

c12c(OCC(=C1)C#N)ccc(c2)Br

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1gm/kg (1000mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 11, Pg. 81, 1976.