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Substance Name: Nonanoic acid, 9-fluoro-3-oxo-, ethyl ester
RN: 502-36-3
InChIKey: LDELXTRDOWVUFX-UHFFFAOYSA-N

Molecular Formula

  • C11-H19-F-O3

Molecular Weight

  • 218.266
 
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Names and Synonyms

Synonyms

  • 4-03-00-01627 (Beilstein Handbook Reference)
  • BRN 1780792
  • Ethyl 9-fluoro-3-oxononanoate
  • Ethyl omega-fluoro-3-oxononanoate

Systematic Name

  • Nonanoic acid, 9-fluoro-3-oxo-, ethyl ester

Registry Numbers

CAS Registry Number

  • 502-36-3

System Generated Number

  • 0000502363

Structure Descriptors

InChI

1S/C11H19FO3/c1-2-15-11(14)9-10(13)7-5-3-4-6-8-12/h2-9H2,1H3

InChIKey

LDELXTRDOWVUFX-UHFFFAOYSA-N

Smiles

C(CC(OCC)=O)(CCCCCCF)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 67mg/kg (67mg/kg)   Journal of the American Chemical Society. Vol. 79, Pg. 1959, 1957.
mouse LD50 subcutaneous > 100mg/kg (100mg/kg)   Nature. Vol. 172, Pg. 1139, 1953.