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Substance Name: Orthobenzoic acid, p-bromo-, cyclic ester with 2-cyclohexyl-2-(hydroxymethyl)-1,3-propanediol
RN: 97720-10-0
InChIKey: UCCKBKIZMIWJHE-UHFFFAOYSA-N

Molecular Formula

  • C17-H21-Br-O3

Molecular Weight

  • 353.254
 
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Names and Synonyms

Synonyms

  • 1-(4-Bromophenyl)-4-cyclohexylbicycloorthocarboxylate
  • 2,6,7-Trioxabicyclo(2.2.2)octane, 1-(4-bromophenyl)-4-cyclohexyl-
  • p-Bromoorthobenzoic acid cyclic ester with 2-cyclohexyl-2-(hydroxymethyl)-1,3-propanediol

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 97720-10-0

System Generated Number

  • 0097720100

Structure Descriptors

InChI

1S/C17H21BrO3/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/h6-9,13H,1-5,10-12H2

InChIKey

UCCKBKIZMIWJHE-UHFFFAOYSA-N

Smiles

C12(OCC(CO1)(CO2)C1CCCCC1)c1ccc(cc1)Br

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 4800ug/kg (4.8mg/kg)   Molecular Pharmacology. Vol. 28, Pg. 246, 1985.