2-chloro-7-nitroquinoline

• ChemBase ID: 292694
• Molecular Formular: C9H5ClN2O2
• Molecular Mass: 208.6012
• Monoisotopic Mass: 208.00395509
• SMILES: [O-][N+](=O)c1cc2c(ccc(Cl)n2)cc1
• Canonical SMILES: Clc1ccc2c(n1)cc(cc2)[N+](=O)[O-]
• InChI: InChI=1S/C9H5ClN2O2/c10-9-4-2-6-1-3-7(12(13)14)5-8(6)11-9/h1-5H
• InChIKey: PBGQDNSMFBXURC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-7-nitroquinoline
• IUPAC Traditional name: 2-chloro-7-nitroquinoline
• Synonyms: 2-Chloro-7-nitroquinoline

Database IDs

• CAS Number: 49609-03-2
• PubChem SID: 180678225
• PubChem CID: 14140501

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: 20.74151 Å^3
• Polar Surface Area: 56.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%