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Substance Name: Orthobenzoic acid, o-fluoro-, cyclic ester with 2-tert-butyl-2-(hydroxymethyl)-1,3-propanediol
RN: 97720-03-1
InChIKey: ZLAUHZNWXXVRSS-UHFFFAOYSA-N

Molecular Formula

  • C15-H19-F-O3

Molecular Weight

  • 266.31
 
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Names and Synonyms

Synonyms

  • 1-(2-Fluorophenyl)-4-tert-butylbicycloorthocarboxylate
  • 2,6,7-Trioxabicyclo(2.2.2)octane, 4-(1,1-dimethylethyl)-1-(2-fluorophenyl)-
  • o-Fluoroorthobenzoic acid cyclic ester with 2-tert-butyl-2-(hydroxymethyl)-1,3-propanediol

Systematic Name

  • Orthobenzoic acid, o-fluoro-, cyclic ester with 2-tert-butyl-2-(hydroxymethyl)-1,3-propanediol

Registry Numbers

CAS Registry Number

  • 97720-03-1

System Generated Number

  • 0097720031

Structure Descriptors

InChI

1S/C15H19FO3/c1-13(2,3)14-8-17-15(18-9-14,19-10-14)11-6-4-5-7-12(11)16/h4-7H,8-10H2,1-3H3

InChIKey

ZLAUHZNWXXVRSS-UHFFFAOYSA-N

Smiles

C12(OCC(CO1)(CO2)C(C)(C)C)c1c(cccc1)F

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 700ug/kg (0.7mg/kg)   Molecular Pharmacology. Vol. 28, Pg. 246, 1985.