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Substance Name: Orthobenzoic acid, p-chloro-, cyclic ester with 2-sec-butyl-2-(hydroxymethyl)-1,3-propanediol
RN: 97719-92-1
InChIKey: CAEKAEFKIHBJEB-UHFFFAOYSA-N

Molecular Formula

  • C15-H19-Cl-O3

Molecular Weight

  • 282.765
 
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Names and Synonyms

Synonyms

  • 2,6,7-Trioxabicyclo(2.2.2)octane, 1-(4-chlorophenyl)-4-(1-methylpropyl)-
  • 4-sec-Butyl-1-(4-chlorophenyl)bicycloorthocarboxylate
  • p-Chloroorthobenzoic acid cyclic ester with 2-sec-butyl-2-(hydroxymethyl)-1,3-propanediol

Systematic Name

  • Orthobenzoic acid, p-chloro-, cyclic ester with 2-sec-butyl-2-(hydroxymethyl)-1,3-propanediol

Registry Numbers

CAS Registry Number

  • 97719-92-1

System Generated Number

  • 0097719921

Structure Descriptors

InChI

1S/C15H19ClO3/c1-3-11(2)14-8-17-15(18-9-14,19-10-14)12-4-6-13(16)7-5-12/h4-7,11H,3,8-10H2,1-2H3

InChIKey

CAEKAEFKIHBJEB-UHFFFAOYSA-N

Smiles

C12(OCC(CO1)(CO2)[C@@H](CC)C)c1ccc(cc1)Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 2500ug/kg (2.5mg/kg)   Molecular Pharmacology. Vol. 28, Pg. 246, 1985.