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Substance Name: 2H-1-Benzopyran, 2-(4-chlorophenyl)-8-methoxy-3-nitro-
RN: 57544-19-1
InChIKey: QPWTVCSDBXVHHT-UHFFFAOYSA-N

Molecular Formula

  • C16-H12-Cl-N-O4

Molecular Weight

  • 317.727
 
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Names and Synonyms

Synonyms

  • 2-(4-Chlorophenyl)-8-methoxy-3-nitro-2H-1-benzopyran
  • 5-17-04-00590 (Beilstein Handbook Reference)
  • BRN 1394782

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 57544-19-1

System Generated Number

  • 0057544191

Structure Descriptors

InChI

1S/C16H12ClNO4/c1-21-14-4-2-3-11-9-13(18(19)20)15(22-16(11)14)10-5-7-12(17)8-6-10/h2-9,15H,1H3

InChIKey

QPWTVCSDBXVHHT-UHFFFAOYSA-N

Smiles

C=1([C@@H](c2ccc(Cl)cc2)Oc2c(cccc2C1)OC)[N+](=O)[O-]

Toxicity

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