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Substance Name: Octanoic acid, 8-fluoro-3-oxo-, ethyl ester
RN: 333-56-2
InChIKey: LYZYHBFNPRVNND-UHFFFAOYSA-N

Molecular Formula

  • C10-H17-F-O3

Molecular Weight

  • 204.239
 
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Names and Synonyms

Synonyms

  • 4-03-00-01611 (Beilstein Handbook Reference)
  • 8-Fluoro-3-oxo-octanoic acid ethyl ester
  • BRN 1775525
  • Ethyl 8-fluoro-3-oxooctanoate
  • Ethyl omega-fluoro-3-oxooctanoate

Systematic Name

  • Octanoic acid, 8-fluoro-3-oxo-, ethyl ester

Registry Numbers

CAS Registry Number

  • 333-56-2

System Generated Number

  • 0000333562

Structure Descriptors

InChI

1S/C10H17FO3/c1-2-14-10(13)8-9(12)6-4-3-5-7-11/h2-8H2,1H3

InChIKey

LYZYHBFNPRVNND-UHFFFAOYSA-N

Smiles

C(C(CCCCCF)=O)C(OCC)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1300ug/kg (1.3mg/kg)   Journal of the American Chemical Society. Vol. 79, Pg. 1959, 1957.