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Substance Name: Quinoline, 3-chloro-4-nitro-, 1-oxide
RN: 14100-52-8
InChIKey: KCTRRJGEGCNDPX-UHFFFAOYSA-N

Classification Codes

  • Mutation Data
  • Tumor Data

Molecular Formula

  • C9-H5-Cl-N2-O3

Molecular Weight

  • 224.602
 
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Names and Synonyms

Synonyms

  • 3-Chloro-4-nitroquinoline 1-oxide
  • BRN 1248726

Systematic Name

  • Quinoline, 3-chloro-4-nitro-, 1-oxide

Registry Numbers

CAS Registry Number

  • 14100-52-8

System Generated Number

  • 0014100528

Structure Descriptors

InChI

1S/C9H5ClN2O3/c10-7-5-11(13)8-4-2-1-3-6(8)9(7)12(14)15/h1-5H

InChIKey

KCTRRJGEGCNDPX-UHFFFAOYSA-N

Smiles

c1ccc2c([N+](=O)[O-])c(Cl)c[n+]([O-])c2c1

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 1.33 (none)   EXP
Water Solubility 969 mg/L 25 EST
Vapor Pressure 5.92E-07 mm Hg 25 EST
Henry's Law Constant 2.01E-14 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 6.82E-13 cm3/molecule-sec 25 EST

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