7-chloro-8-nitroquinoline

• ChemBase ID: 292925
• Molecular Formular: C9H5ClN2O2
• Molecular Mass: 208.6012
• Monoisotopic Mass: 208.00395509
• SMILES: [O-][N+](=O)c1c(Cl)ccc2c1nccc2
• Canonical SMILES: [O-][N+](=O)c1c(Cl)ccc2c1nccc2
• InChI: InChI=1S/C9H5ClN2O2/c10-7-4-3-6-2-1-5-11-8(6)9(7)12(13)14/h1-5H
• InChIKey: AHRUOBCIEORMLN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-chloro-8-nitroquinoline
• IUPAC Traditional name: 7-chloro-8-nitroquinoline
• Synonyms: 7-Chloro-8-nitroquinoline

Database IDs

• CAS Number: 71331-02-7
• PubChem SID: 180678456
• PubChem CID: 459714

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.6749246
• LogD (pH = 7.4): 2.6749294
• Log P: 2.6749294
• Molar Refractivity: 51.1046 cm^3
• Polarizability: 20.719315 Å^3
• Polar Surface Area: 56.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%