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Substance Name: Cyclopropanecarboxylic acid, 1-((4-bromophenyl)sulfonyl)-, methyl ester
RN: 145348-25-0
InChIKey: IPABBDLXSJIQEG-UHFFFAOYSA-N

Molecular Formula

  • C11-H11-Br-O4-S

Molecular Weight

  • 319.174
 
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Names and Synonyms

Synonym

  • Methyl 1-((4-bromophenyl)sulfonyl)cyclopropanecarboxylate

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 145348-25-0

System Generated Number

  • 0145348250

Structure Descriptors

InChI

1S/C11H11BrO4S/c1-16-10(13)11(6-7-11)17(14,15)9-4-2-8(12)3-5-9/h2-5H,6-7H2,1H3

InChIKey

IPABBDLXSJIQEG-UHFFFAOYSA-N

Smiles

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

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 123.5 deg C   EXP
log P (octanol-water) 2.32 (none)   EXP
Water Solubility 68.2 mg/L 25 EXP
Vapor Pressure 1.76E-06 mm Hg 25 EST
Henry's Law Constant 9.19E-10 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 5.37E-13 cm3/molecule-sec 25 EST

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