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Substance Name: 1H-Indole-3-carboxylic acid, 2-chloro-
RN: 54778-20-0
InChIKey: SXIIAHIAZAMFPW-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C9-H6-Cl-N-O2

Molecular Weight

  • 195.604
 
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Names and Synonyms

Synonyms

  • 2-Chloro-1H-indole-3-carboxylic acid
  • 5-22-03-00039 (Beilstein Handbook Reference)
  • BRN 0391703

Systematic Name

  • 1H-Indole-3-carboxylic acid, 2-chloro-

Registry Numbers

CAS Registry Number

  • 54778-20-0

System Generated Number

  • 0054778200

Structure Descriptors

InChI

1S/C9H6ClNO2/c10-8-7(9(12)13)5-3-1-2-4-6(5)11-8/h1-4,11H,(H,12,13)

InChIKey

SXIIAHIAZAMFPW-UHFFFAOYSA-N

Smiles

c1(c([nH]c2c1cccc2)Cl)C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 500mg/kg (500mg/kg)   Journal of Medicinal Chemistry. Vol. 20, Pg. 1344, 1977.
mouse LD50 oral > 500mg/kg (500mg/kg)   Journal of Medicinal Chemistry. Vol. 20, Pg. 1344, 1977.