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Substance Name: 5-Phenoxysulfonyl-1-methyl-4-nitroimidazole
RN: 6954-35-4
InChIKey: UFAZASYMNCMYTC-UHFFFAOYSA-N

Molecular Formula

  • C10-H9-N3-O5-S

Molecular Weight

  • 283.263
 
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Names and Synonyms

Name of Substance

  • 5-Phenoxysulfonyl-1-methyl-4-nitroimidazole

Synonyms

  • 5-Phenoxysulfonyl-1-methyl-4-nitroimidazole
  • NSC 38087

Systematic Name

  • 1H-Imidazole-5-sulfonic acid, 1-methyl-4-nitro-, phenyl ester

Registry Numbers

CAS Registry Number

  • 6954-35-4

System Generated Number

  • 0006954354

Structure Descriptors

InChI

1S/C10H9N3O5S/c1-12-7-11-9(13(14)15)10(12)19(16,17)18-8-5-3-2-4-6-8/h2-7H,1H3

InChIKey

UFAZASYMNCMYTC-UHFFFAOYSA-N

Smiles

Cn1cnc([N+](=O)[O-])c1S(=O)(=O)Oc1ccccc1

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 1.08 (none)   EXP
Water Solubility 748 mg/L 25 EST
Vapor Pressure 2.47E-09 mm Hg 25 EST
Henry's Law Constant 1.75E-11 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.26E-11 cm3/molecule-sec 25 EST

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