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Substance Name: 5-Nitrobenzisoxazole
RN: 39835-28-4
InChIKey: TWOYWCWKYDYTIP-UHFFFAOYSA-N

Molecular Weight

  • 164.12
 
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Names and Synonyms

  • 5-Nitrobenzisoxazole

Registry Numbers

CAS Registry Number

  • 39835-28-4

System Generated Number

  • 0039835284

Structure Descriptors

InChI

1S/C7H4N2O3/c10-9(11)6-1-2-7-5(3-6)4-8-12-7/h1-4H

InChIKey

TWOYWCWKYDYTIP-UHFFFAOYSA-N

Smiles

[N+](c1cc2cnoc2cc1)([O-])=O

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 1.46 (none)   EXP
Water Solubility 1510 mg/L 25 EST
Vapor Pressure 6.57E-04 mm Hg 25 EST
Henry's Law Constant 2.18E-08 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.12E-12 cm3/molecule-sec 25 EST

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