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Substance Name: Acetic acid, ((2-chloro-4-nitrophenyl)sulfinyl)-, methyl ester
RN: 139326-40-2
InChIKey: VFVZBFTUALASJS-UHFFFAOYSA-N

Molecular Formula

  • C9-H8-Cl-N-O5-S

Molecular Weight

  • 277.6832
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 139326-40-2

System Generated Number

  • 0139326402

Structure Descriptors

InChI

1S/C9H8ClNO5S/c1-16-9(12)5-17(15)8-3-2-6(11(13)14)4-7(8)10/h2-4H,5H2,1H3

InChIKey

VFVZBFTUALASJS-UHFFFAOYSA-N

Smiles

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

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 1.35 (none)   EXP
Water Solubility 473 mg/L 25 EST
Vapor Pressure 5.45E-07 mm Hg 25 EST
Henry's Law Constant 6.90E-14 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 6.25E-11 cm3/molecule-sec 25 EST

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