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Substance Name: Cyclobutanecarboxylic acid, 1-((4-bromophenyl)sulfonyl)-, methyl ester
RN: 160790-06-7
InChIKey: DXGXTGYXCFBYDJ-UHFFFAOYSA-N

Molecular Formula

  • C12-H13-Br-O4-S

Molecular Weight

  • 333.201
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 160790-06-7

System Generated Number

  • 0160790067

Structure Descriptors

InChI

1S/C12H13BrO4S/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

DXGXTGYXCFBYDJ-UHFFFAOYSA-N

Smiles

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

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 95 deg C   EXP
log P (octanol-water) 2.45 (none)   EXP
Water Solubility 93.9 mg/L 25 EXP
Vapor Pressure 7.18E-07 mm Hg 25 EST
Henry's Law Constant 1.22E-09 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.67E-12 cm3/molecule-sec 25 EST

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