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Substance Name: 2H-1-Benzopyran, 6-bromo-2-(4-chlorophenyl)-8-methoxy-3-nitro-
RN: 57544-22-6
InChIKey: BXDMTVKECKJHAQ-UHFFFAOYSA-N

Molecular Formula

  • C16-H11-Br-Cl-N-O4

Molecular Weight

  • 396.623
 
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Names and Synonyms

Synonyms

  • 5-17-04-00590 (Beilstein Handbook Reference)
  • 6-Bromo-2-(4-chlorophenyl)-8-methoxy-3-nitro-2H-1-benzopyran
  • BRN 1398809

Systematic Name

  • 2H-1-Benzopyran, 6-bromo-2-(4-chlorophenyl)-8-methoxy-3-nitro-

Registry Numbers

CAS Registry Number

  • 57544-22-6

System Generated Number

  • 0057544226

Structure Descriptors

InChI

1S/C16H11BrClNO4/c1-22-14-8-11(17)6-10-7-13(19(20)21)15(23-16(10)14)9-2-4-12(18)5-3-9/h2-8,15H,1H3

InChIKey

BXDMTVKECKJHAQ-UHFFFAOYSA-N

Smiles

c12c(C=C([N+](=O)[O-])[C@@H](O1)c1ccc(Cl)cc1)cc(Br)cc2OC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 900mg/kg (900mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 11, Pg. 81, 1976.