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Substance Name: Cyclopentanecarboxylic acid, 1-((4-bromophenyl)sulfonyl)-, methyl ester
RN: 160790-07-8
InChIKey: GTCWZRDSJBFIDT-UHFFFAOYSA-N

Molecular Formula

  • C13-H15-Br-O4-S

Molecular Weight

  • 347.228
 
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Names and Synonyms

  • Cyclopentanecarboxylic acid, 1-((4-bromophenyl)sulfonyl)-, methyl ester

Registry Numbers

CAS Registry Number

  • 160790-07-8

System Generated Number

  • 0160790078

Structure Descriptors

InChI

1S/C13H15BrO4S/c1-18-12(15)13(8-2-3-9-13)19(16,17)11-6-4-10(14)5-7-11/h4-7H,2-3,8-9H2,1H3

InChIKey

GTCWZRDSJBFIDT-UHFFFAOYSA-N

Smiles

C(OC)(=O)C1(CCCC1)S(c1ccc(cc1)Br)(=O)=O

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 103.5 deg C   EXP
log P (octanol-water) 2.73 (none)   EXP
Water Solubility 33.9 mg/L 25 EXP
Vapor Pressure 2.92E-07 mm Hg 25 EST
Henry's Law Constant 1.62E-09 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 4.10E-12 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.