6-bromo-4-methyl-1,2-dihydroquinolin-2-one

• ChemBase ID: 311487
• Molecular Formular: C10H8BrNO
• Molecular Mass: 238.08062
• Monoisotopic Mass: 236.97892588
• SMILES: c1(c2c([nH]c(=O)c1)ccc(c2)Br)C
• Canonical SMILES: Brc1ccc2c(c1)c(C)cc(=O)[nH]2
• InChI: InChI=1S/C10H8BrNO/c1-6-4-10(13)12-9-3-2-7(11)5-8(6)9/h2-5H,1H3,(H,12,13)
• InChIKey: NOQMJGOVUYZKIA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-bromo-4-methyl-1,2-dihydroquinolin-2-one
• IUPAC Traditional name: 6-bromo-4-methyl-1H-quinolin-2-one
• Synonyms: 6-bromo-4-methyl-2(1H)-quinolinone

Database IDs

• CAS Number: 89446-19-5
• MDL Number: MFCD11053820

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.6652896
• LogD (pH = 7.4): 2.6652894
• Log P: 2.6652896
• Molar Refractivity: 57.184 cm^3
• Polarizability: 20.7782 Å^3
• Polar Surface Area: 29.1 Å^2