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Substance Name: 1,2,4-Oxadiazole, 5-amino-3-(2-(5-nitro-2-furyl)vinyl)-
RN: 21959-57-9
InChIKey: RMZNNIOKNRDECR-UHFFFAOYSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C8-H6-N4-O4

Molecular Weight

  • 222.159
 
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Names and Synonyms

Synonyms

  • 1,2,4-Oxadiazol-5-amine, 3-(2-(5-nitro-2-furanyl)ethenyl)-
  • 5-Amino-3-(2-(5-nitro-2-furyl)vinyl)-1,2,4-oxadiazole
  • BRN 1079486
  • S 18506

Systematic Name

  • 1,2,4-Oxadiazole, 5-amino-3-(2-(5-nitro-2-furyl)vinyl)-

Registry Numbers

CAS Registry Number

  • 21959-57-9

System Generated Number

  • 0021959579

Structure Descriptors

InChI

1S/C8H6N4O4/c9-8-10-6(11-16-8)3-1-5-2-4-7(15-5)12(13)14/h1-4H,(H2,9,10,11)

InChIKey

RMZNNIOKNRDECR-UHFFFAOYSA-N

Smiles

o1c(\C=C/c2noc(N)n2)ccc1[N+](=O)[O-]

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 1.3 (none)   EXP
Water Solubility 1060 mg/L 25 EST
Vapor Pressure 2.88E-06 mm Hg 25 EST
Henry's Law Constant 7.50E-13 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 6.52E-11 cm3/molecule-sec 25 EST

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