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Substance Name: Acetic acid, ((4-nitrophenyl)thio)-, 1-methylethyl ester
RN: 139326-34-4
InChIKey: UJMOMAPYWSXGBT-UHFFFAOYSA-N

Molecular Formula

  • C11-H13-N-O4-S

Molecular Weight

  • 255.2927
 
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Names and Synonyms

  • Acetic acid, ((4-nitrophenyl)thio)-, 1-methylethyl ester

Registry Numbers

CAS Registry Number

  • 139326-34-4

System Generated Number

  • 0139326344

Structure Descriptors

InChI

1S/C11H13NO4S/c1-8(2)16-11(13)7-17-10-5-3-9(4-6-10)12(14)15/h3-6,8H,7H2,1-2H3

InChIKey

UJMOMAPYWSXGBT-UHFFFAOYSA-N

Smiles

CC(C)OC(=O)CSc1ccc(cc1)[N+](=O)[O-]

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 2.79 (none)   EXP
Water Solubility 37.3 mg/L 25 EST
Vapor Pressure 1.46E-05 mm Hg 25 EST
Henry's Law Constant 2.60E-09 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 7.27E-12 cm3/molecule-sec 25 EST

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