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Substance Name: Cyclopropanecarboxylic acid, 1-((4-chlorophenyl)sulfonyl)-, 1-methylethyl ester
RN: 145348-23-8
InChIKey: SAFRSRKBLQVPQW-UHFFFAOYSA-N

Molecular Formula

  • C13-H15-Cl-O4-S

Molecular Weight

  • 302.776
 
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Names and Synonyms

Synonym

  • 1-Methylethyl 1-((4-chlorophenyl)sulfonyl)cyclopropanecarboxylic acid

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 145348-23-8

System Generated Number

  • 0145348238

Structure Descriptors

InChI

1S/C13H15ClO4S/c1-9(2)18-12(15)13(7-8-13)19(16,17)11-5-3-10(14)4-6-11/h3-6,9H,7-8H2,1-2H3

InChIKey

SAFRSRKBLQVPQW-UHFFFAOYSA-N

Smiles

c1cc(Cl)ccc1S(=O)(=O)C1(C(=O)OC(C)C)CC1

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 89.8 deg C   EXP
log P (octanol-water) 2.64 (none)   EXP
Water Solubility 87.3 mg/L 25 EXP
Vapor Pressure 1.48E-06 mm Hg 25 EST
Henry's Law Constant 3.01E-09 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 3.79E-12 cm3/molecule-sec 25 EST

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