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Substance Name: Cyclobutanecarboxylic acid, 1-((4-chlorophenyl)sulfonyl)-, 1-methylethyl ester
RN: 160790-09-0
InChIKey: GWBJAJHNRFKJON-UHFFFAOYSA-N

Molecular Formula

  • C14-H17-Cl-O4-S

Molecular Weight

  • 288.75
 
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Names and Synonyms

  • Cyclobutanecarboxylic acid, 1-((4-chlorophenyl)sulfonyl)-, 1-methylethyl ester

Registry Numbers

CAS Registry Number

  • 160790-09-0

System Generated Number

  • 0160790090

Structure Descriptors

InChI

1S/C12H13ClO4S/c1-17-11(14)12(7-2-8-12)18(15,16)10-5-3-9(13)4-6-10/h3-6H,2,7-8H2,1H3

InChIKey

GWBJAJHNRFKJON-UHFFFAOYSA-N

Smiles

S(C1(C(=O)OC)CCC1)(c1ccc(cc1)Cl)(=O)=O

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 76.2 deg C   EXP
log P (octanol-water) 2.28 (none)   EXP
Water Solubility 289 mg/L 25 EXP
Vapor Pressure 1.88E-06 mm Hg 25 EST
Henry's Law Constant 2.27E-09 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.70E-12 cm3/molecule-sec 25 EST

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