Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Orthobenzoic acid, p-fluoro-, cyclic ester with 2-(hydroxymethyl)-2-phenyl-1,3-propanediol
RN: 97720-28-0
InChIKey: LHVWTCGOLAOAND-UHFFFAOYSA-N

Molecular Formula

  • C17-H15-F-O3

Molecular Weight

  • 286.301
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Synonyms

  • 1-(4-Fluorophenyl)-4-phenylorthobicycloorthocarboxylate
  • 2,6,7-Trioxabicyclo(2.2.2)octane, 1-(4-fluorophenyl)-4-phenyl-
  • p-Fluoroorthobenzoic acid cyclic ester with 2-(hydroxymethyl)-2-phenyl-1,3-propanediol

Systematic Name

  • Orthobenzoic acid, p-fluoro-, cyclic ester with 2-(hydroxymethyl)-2-phenyl-1,3-propanediol

Registry Numbers

CAS Registry Number

  • 97720-28-0

System Generated Number

  • 0097720280

Structure Descriptors

InChI

1S/C17H15FO3/c18-15-8-6-14(7-9-15)17-19-10-16(11-20-17,12-21-17)13-4-2-1-3-5-13/h1-9H,10-12H2

InChIKey

LHVWTCGOLAOAND-UHFFFAOYSA-N

Smiles

C12(OCC(CO1)(CO2)c1ccccc1)c1ccc(cc1)F

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 37mg/kg (37mg/kg)   Molecular Pharmacology. Vol. 28, Pg. 246, 1985.