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Substance Name: 2H-1-Benzopyran, 6-bromo-2-(2-methoxyphenyl)-3-nitro-
RN: 57543-95-0
InChIKey: VHWZHTFTOYZFRD-UHFFFAOYSA-N

Molecular Formula

  • C16-H12-Br-N-O4

Molecular Weight

  • 362.178
 
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Names and Synonyms

Synonyms

  • 5-17-04-00591 (Beilstein Handbook Reference)
  • 6-Bromo-2-(2-methoxyphenyl)-3-nitro-2H-1-benzopyran
  • BRN 1397437

Systematic Name

  • 2H-1-Benzopyran, 6-bromo-2-(2-methoxyphenyl)-3-nitro-

Registry Numbers

CAS Registry Number

  • 57543-95-0

System Generated Number

  • 0057543950

Structure Descriptors

InChI

1S/C16H12BrNO4/c1-21-15-5-3-2-4-12(15)16-13(18(19)20)9-10-8-11(17)6-7-14(10)22-16/h2-9,16H,1H3

InChIKey

VHWZHTFTOYZFRD-UHFFFAOYSA-N

Smiles

c1([C@@H]2C(=Cc3cc(Br)ccc3O2)[N+](=O)[O-])c(cccc1)OC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 750mg/kg (750mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 11, Pg. 81, 1976.