8-bromo-6-methylquinoline hydrochloride

• ChemBase ID: 291407
• Molecular Formular: C10H9BrClN
• Molecular Mass: 258.54216
• Monoisotopic Mass: 256.96068897
• SMILES: Cc1cc(Br)c2ncccc2c1.Cl
• Canonical SMILES: Cc1cc2cccnc2c(c1)Br.Cl
• InChI: InChI=1S/C10H8BrN.ClH/c1-7-5-8-3-2-4-12-10(8)9(11)6-7;/h2-6H,1H3;1H
• InChIKey: XIBMEDNZAUEGDZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-bromo-6-methylquinoline hydrochloride
• IUPAC Traditional name: 8-bromo-6-methylquinoline hydrochloride
• Synonyms: 8-Bromo-6-methylquinoline hydrochloride

Database IDs

• CAS Number: 1255574-68-5
• MDL Number: MFCD17214295
• PubChem SID: 180676938
• PubChem CID: 53217419

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.4099534
• LogD (pH = 7.4): 3.4130352
• Log P: 3.4130745
• Molar Refractivity: 52.6433 cm^3
• Polarizability: 21.375988 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%