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Substance Name: Acetic acid, ((2,4-dinitrophenyl)sulfinyl)-, methyl ester
RN: 139326-46-8
InChIKey: YRLSZEJIWOESRX-UHFFFAOYSA-N

Molecular Formula

  • C9-H8-N2-O7-S

Molecular Weight

  • 288.2352
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 139326-46-8

System Generated Number

  • 0139326468

Structure Descriptors

InChI

1S/C9H8N2O7S/c1-18-9(12)5-19(17)8-3-2-6(10(13)14)4-7(8)11(15)16/h2-4H,5H2,1H3

InChIKey

YRLSZEJIWOESRX-UHFFFAOYSA-N

Smiles

COC(=O)CS(=O)c1ccc(cc1[N+](=O)[O-])[N+](=O)[O-]

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 0.63 (none)   EXP
Water Solubility 1700 mg/L 25 EST
Vapor Pressure 3.80E-08 mm Hg 25 EST
Henry's Law Constant 3.67E-16 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.