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Substance Name: Acetic acid, ((4-chloro-2-nitrophenyl)sulfonyl)-, 1-methylethyl ester
RN: 139326-52-6
InChIKey: INFRNBFFTZMRST-UHFFFAOYSA-N

Molecular Formula

  • C11-H12-Cl-N-O6-S

Molecular Weight

  • 321.7358
 
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Names and Synonyms

  • Acetic acid, ((4-chloro-2-nitrophenyl)sulfonyl)-, 1-methylethyl ester

Registry Numbers

CAS Registry Number

  • 139326-52-6

System Generated Number

  • 0139326526

Structure Descriptors

InChI

1S/C11H12ClNO6S/c1-7(2)19-11(14)6-20(17,18)10-4-3-8(12)5-9(10)13(15)16/h3-5,7H,6H2,1-2H3

InChIKey

INFRNBFFTZMRST-UHFFFAOYSA-N

Smiles

CC(C)OC(=O)CS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-]

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 2.45 (none)   EXP
Water Solubility 30.1 mg/L 25 EST
Vapor Pressure 7.61E-08 mm Hg 25 EST
Henry's Law Constant 1.53E-11 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 5.72E-12 cm3/molecule-sec 25 EST

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