6-bromo-2-chloro-7-nitroquinoline

• ChemBase ID: 282575
• Molecular Formular: C9H4BrClN2O2
• Molecular Mass: 287.49726
• Monoisotopic Mass: 285.91446706
• SMILES: c1([N+](=O)[O-])cc2nc(ccc2cc1Br)Cl
• Canonical SMILES: Clc1ccc2c(n1)cc(c(c2)Br)[N+](=O)[O-]
• InChI: InChI=1S/C9H4BrClN2O2/c10-6-3-5-1-2-9(11)12-7(5)4-8(6)13(14)15/h1-4H
• InChIKey: LAJBIZUXKCLTKS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-bromo-2-chloro-7-nitroquinoline
• IUPAC Traditional name: 6-bromo-2-chloro-7-nitroquinoline
• Synonyms: 6-bromo-2-chloro-7-nitroquinoline

Database IDs

• MDL Number: MFCD18380767
• PubChem SID: 180668106
• PubChem CID: 50987290

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.6638591
• LogD (pH = 7.4): 3.6638591
• Log P: 3.6638591
• Molar Refractivity: 60.7929 cm^3
• Polarizability: 23.64588 Å^3
• Polar Surface Area: 58.71 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.32

Product Information

• Purity: 95%