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Substance Name: 4H-1-Benzopyran-2-carboxylic acid, 6-chloro-4-oxo-, ethyl ester
RN: 38322-69-9
InChIKey: JKMIKRDROJBJMP-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H9-Cl-O4

Molecular Weight

  • 252.6521
 
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Names and Synonyms

Synonyms

  • 5-18-08-00317 (Beilstein Handbook Reference)
  • BRN 1250552
  • Ethyl 6-chloro-4-oxo-4H-1-benzopyran-2-carboxylate

Systematic Name

  • 4H-1-Benzopyran-2-carboxylic acid, 6-chloro-4-oxo-, ethyl ester

Registry Numbers

CAS Registry Number

  • 38322-69-9

System Generated Number

  • 0038322699

Structure Descriptors

InChI

1S/C12H9ClO4/c1-2-16-12(15)11-6-9(14)8-5-7(13)3-4-10(8)17-11/h3-6H,2H2,1H3

InChIKey

JKMIKRDROJBJMP-UHFFFAOYSA-N

Smiles

CCOC(=O)c1cc(=O)c2cc(ccc2o1)Cl

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.