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Substance Name: 2H-1-Benzopyran-2-one, 7-(3-chloropropoxy)-
RN: 155272-57-4
InChIKey: HXCBKQXAXRRHQW-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H11-Cl-O3

Molecular Weight

  • 238.6689
 
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Names and Synonyms

Synonyms

  • 7-(3-Chloropropoxy)-2H-1-benzopyran-2-one
  • Coumarin, 7-(3-chloropropoxy)-

Systematic Name

  • 2H-1-Benzopyran-2-one, 7-(3-chloropropoxy)-

Registry Numbers

CAS Registry Number

  • 155272-57-4

System Generated Number

  • 0155272574

Structure Descriptors

InChI

1S/C12H11ClO3/c13-6-1-7-15-10-4-2-9-3-5-12(14)16-11(9)8-10/h2-5,8H,1,6-7H2

InChIKey

HXCBKQXAXRRHQW-UHFFFAOYSA-N

Smiles

c1cc(cc2c1ccc(=O)o2)OCCCCl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 367mg/kg (367mg/kg)   Pharmaceutical Chemistry Journal Vol. 27, Pg. 766, 1993.