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Substance Name: Acetic acid, ((2-chloro-4-nitrophenyl)sulfinyl)-, 1-methylethyl ester
RN: 139326-41-3
InChIKey: XNWWTKKUPWMINP-UHFFFAOYSA-N

Molecular Formula

  • C11-H12-Cl-N-O5-S

Molecular Weight

  • 305.7368
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 139326-41-3

System Generated Number

  • 0139326413

Structure Descriptors

InChI

1S/C11H12ClNO5S/c1-7(2)18-11(14)6-19(17)10-4-3-8(13(15)16)5-9(10)12/h3-5,7H,6H2,1-2H3

InChIKey

XNWWTKKUPWMINP-UHFFFAOYSA-N

Smiles

CC(C)OC(=O)CS(=O)c1ccc(cc1Cl)[N+](=O)[O-]

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 2.01 (none)   EXP
Water Solubility 88.9 mg/L 25 EST
Vapor Pressure 1.73E-07 mm Hg 25 EST
Henry's Law Constant 1.22E-13 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 6.57E-11 cm3/molecule-sec 25 EST

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