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Substance Name: Heptanoic acid, 7-fluoro-, ethyl ester
RN: 459-95-0
InChIKey: SKMWCNFDCIXKTN-UHFFFAOYSA-N

Molecular Formula

  • C9-H17-F-O2

Molecular Weight

  • 176.229
 
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Names and Synonyms

Synonyms

  • 4-02-00-00964 (Beilstein Handbook Reference)
  • BRN 1759470
  • Ethyl 7-fluoroheptanoate

Systematic Name

  • Heptanoic acid, 7-fluoro-, ethyl ester

Registry Numbers

CAS Registry Number

  • 459-95-0

System Generated Number

  • 0000459950

Structure Descriptors

InChI

1S/C9H17FO2/c1-2-12-9(11)7-5-3-4-6-8-10/h2-8H2,1H3

InChIKey

SKMWCNFDCIXKTN-UHFFFAOYSA-N

Smiles

CCOC(CCCCCCF)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous > 100mg/kg (100mg/kg)   Nature. Vol. 172, Pg. 1139, 1953.