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Substance Name: Acetic acid, ((2-chloro-4-nitrophenyl)sulfonyl)-, methyl ester
RN: 139326-49-1
InChIKey: NAJQKGZPSPOEPV-UHFFFAOYSA-N

Molecular Formula

  • C9-H8-Cl-N-O6-S

Molecular Weight

  • 293.6822
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 139326-49-1

System Generated Number

  • 0139326491

Structure Descriptors

InChI

1S/C9H8ClNO6S/c1-17-9(12)5-18(15,16)8-3-2-6(11(13)14)4-7(8)10/h2-4H,5H2,1H3

InChIKey

NAJQKGZPSPOEPV-UHFFFAOYSA-N

Smiles

COC(=O)CS(=O)(=O)c1ccc(cc1Cl)[N+](=O)[O-]

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 1.45 (none)   EXP
Water Solubility 315 mg/L 25 EST
Vapor Pressure 2.41E-07 mm Hg 25 EST
Henry's Law Constant 8.68E-12 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.50E-12 cm3/molecule-sec 25 EST

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