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Substance Name: Benzoic acid, 2,2-dimethoxy-3-fluoropropyl ester
RN: 62522-69-4
InChIKey: VWKVIUQVIQYURO-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H15-F-O4

Molecular Weight

  • 242.245
 
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Names and Synonyms

Synonyms

  • 1-Benzoyloxy-2,2-dimethoxy-3-fluoropropane
  • BRN 2267163
  • Fluorohydroxyacetonedimethyl ketal benzoate

Systematic Name

  • Benzoic acid, 2,2-dimethoxy-3-fluoropropyl ester

Registry Numbers

CAS Registry Number

  • 62522-69-4

System Generated Number

  • 0062522694

Structure Descriptors

InChI

1S/C12H15FO4/c1-15-12(8-13,16-2)9-17-11(14)10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3

InChIKey

VWKVIUQVIQYURO-UHFFFAOYSA-N

Smiles

C(COC(c1ccccc1)=O)(CF)(OC)OC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 57mg/kg (57mg/kg)   Journal of Medicinal Chemistry. Vol. 20, Pg. 644, 1977.