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Substance Name: 1H-2-Benzopyran-7-carboxylic acid, 4,6-dihydro-5-chloro-8-hydroxy-6-oxo-3-(pentafluoroethyl)-
RN: 142689-09-6
InChIKey: ICAAFJDGPKDOEF-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H6-Cl-F5-O5

Molecular Weight

  • 360.6174
 
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Names and Synonyms

Synonym

  • 4,6-Dihydro-5-chloro-8-hydroxy-6-oxo-3-(pentafluoroethyl)-1H-2-benzopyran-7-carboxylic acid

Systematic Name

  • 1H-2-Benzopyran-7-carboxylic acid, 4,6-dihydro-5-chloro-8-hydroxy-6-oxo-3-(pentafluoroethyl)-

Registry Numbers

CAS Registry Number

  • 142689-09-6

System Generated Number

  • 0142689096

Structure Descriptors

InChI

1S/C12H6ClF5O5/c13-7-3-1-5(11(14,15)12(16,17)18)23-2-4(3)8(19)6(9(7)20)10(21)22/h2,5,19H,1H2,(H,21,22)

InChIKey

ICAAFJDGPKDOEF-UHFFFAOYSA-N

Smiles

C1C(OC=C2C1=C(C(=O)C(=C2O)C(=O)O)Cl)C(C(F)(F)F)(F)F

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD oral > 8gm/kg (8000mg/kg)   Japanese Kokai Tokyo Koho Patents. Vol. #92-69337,