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Substance Name: Octanoic acid, 8-fluoro-3-methyl-
RN: 462-12-4
InChIKey: CMZDDIWNZWUROZ-UHFFFAOYSA-N

Molecular Formula

  • C9-H17-F-O2

Molecular Weight

  • 176.229
 
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Names and Synonyms

Synonyms

  • 4-02-00-01028 (Beilstein Handbook Reference)
  • 8-Fluoro-3-methyloctanoic acid
  • BRN 1762558

Systematic Name

  • Octanoic acid, 8-fluoro-3-methyl-

Registry Numbers

CAS Registry Number

  • 462-12-4

System Generated Number

  • 0000462124

Structure Descriptors

InChI

1S/C9H17FO2/c1-8(7-9(11)12)5-3-2-4-6-10/h8H,2-7H2,1H3,(H,11,12)

InChIKey

CMZDDIWNZWUROZ-UHFFFAOYSA-N

Smiles

C([C@@H](CC(O)=O)C)CCCCF

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 118mg/kg (118mg/kg)   Journal of the American Chemical Society. Vol. 79, Pg. 2308, 1957.