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Substance Name: Acetic acid, ((4-chloro-2-nitrophenyl)thio)-, methyl ester
RN: 139326-38-8
InChIKey: UWEWAPXGCUAHRA-UHFFFAOYSA-N

Molecular Formula

  • C9-H8-Cl-N-O4-S

Molecular Weight

  • 261.6842
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 139326-38-8

System Generated Number

  • 0139326388

Structure Descriptors

InChI

1S/C9H8ClNO4S/c1-15-9(12)5-16-8-3-2-6(10)4-7(8)11(13)14/h2-4H,5H2,1H3

InChIKey

UWEWAPXGCUAHRA-UHFFFAOYSA-N

Smiles

COC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-]

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 2.24 (none)   EXP
Water Solubility 101 mg/L 25 EST
Vapor Pressure 1.00E-05 mm Hg 25 EST
Henry's Law Constant 1.09E-09 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.93E-12 cm3/molecule-sec 25 EST

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