2-chloro-5-nitroquinoline

• ChemBase ID: 292693
• Molecular Formular: C9H5ClN2O2
• Molecular Mass: 208.6012
• Monoisotopic Mass: 208.00395509
• SMILES: [O-][N+](=O)c1cccc2c1ccc(Cl)n2
• Canonical SMILES: Clc1ccc2c(n1)cccc2[N+](=O)[O-]
• InChI: InChI=1S/C9H5ClN2O2/c10-9-5-4-6-7(11-9)2-1-3-8(6)12(13)14/h1-5H
• InChIKey: IICVTJMDHNPPOP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-5-nitroquinoline
• IUPAC Traditional name: 2-chloro-5-nitroquinoline
• Synonyms: 2-Chloro-5-nitroquinoline

Database IDs

• CAS Number: 13067-94-2
• PubChem SID: 180678224
• PubChem CID: 319251

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.8951066
• LogD (pH = 7.4): 2.8951066
• Log P: 2.8951066
• Molar Refractivity: 52.1659 cm^3
• Polarizability: 20.749596 Å^3
• Polar Surface Area: 56.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%