2-chloro-8-nitroquinoline

• ChemBase ID: 288506
• Molecular Formular: C9H5ClN2O2
• Molecular Mass: 208.6012
• Monoisotopic Mass: 208.00395509
• SMILES: [O-][N+](=O)c1cccc2c1nc(Cl)cc2
• Canonical SMILES: Clc1ccc2c(n1)c(ccc2)[N+](=O)[O-]
• InChI: InChI=1S/C9H5ClN2O2/c10-8-5-4-6-2-1-3-7(12(13)14)9(6)11-8/h1-5H
• InChIKey: RVJHLZFALCBCIW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-8-nitroquinoline
• IUPAC Traditional name: 2-chloro-8-nitroquinoline
• Synonyms: 2-Chloro-8-nitroquinoline

Database IDs

• CAS Number: 4225-86-9
• PubChem SID: 180674037
• PubChem CID: 319453

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: 20.750418 Å^3
• Polar Surface Area: 56.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%