7-bromo-2-chloroquinoline

• ChemBase ID: 87891
• Molecular Formular: C9H5BrClN
• Molecular Mass: 242.4997
• Monoisotopic Mass: 240.92938885
• SMILES: n1c(ccc2ccc(cc12)Br)Cl
• Canonical SMILES: Brc1ccc2c(c1)nc(cc2)Cl
• InChI: InChI=1S/C9H5BrClN/c10-7-3-1-6-2-4-9(11)12-8(6)5-7/h1-5H
• InChIKey: MOEWRAKNXMILKB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-bromo-2-chloroquinoline
• IUPAC Traditional name: 7-bromo-2-chloroquinoline
• Synonyms: 7-Bromo-2-chloro-quinoline; 7-Bromo-2-chloroquinoline

Database IDs

• CAS Number: 99455-15-9
• MDL Number: MFCD06738671
• PubChem SID: 162074931
• PubChem CID: 14221034

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.723874
• LogD (pH = 7.4): 3.723875
• Log P: 3.723875
• Molar Refractivity: 53.4682 cm^3
• Polarizability: 21.594273 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant

Product Information

• Purity: 95+%; 96%