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Substance Name: Quinoline, 3-nitro-, 1-oxide
RN: 7433-86-5
InChIKey: JHPHHDGOLBLRRM-UHFFFAOYSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C9-H6-N2-O3

Molecular Weight

  • 190.157
 
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Names and Synonyms

Synonyms

  • 3-Nitroquinoline 1-oxide
  • 4-20-00-03396 (Beilstein Handbook Reference)
  • BRN 0165282

Systematic Name

  • Quinoline, 3-nitro-, 1-oxide

Registry Numbers

CAS Registry Number

  • 7433-86-5

System Generated Number

  • 0007433865

Structure Descriptors

InChI

1S/C9H6N2O3/c12-10-6-8(11(13)14)5-7-3-1-2-4-9(7)10/h1-6H

InChIKey

JHPHHDGOLBLRRM-UHFFFAOYSA-N

Smiles

c1ccc2cc([N+](=O)[O-])cn(=O)c2c1

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 0.56 (none)   EXP
Water Solubility 6650 mg/L 25 EST
Vapor Pressure 2.60E-06 mm Hg 25 EST
Henry's Law Constant 2.72E-14 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.80E-12 cm3/molecule-sec 25 EST

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