2-bromo-1-(2,3-dihydro-1H-indol-1-yl)ethan-1-one

• ChemBase ID: 307803
• Molecular Formular: C10H10BrNO
• Molecular Mass: 240.0965
• Monoisotopic Mass: 238.99457595
• SMILES: N1(c2c(CC1)cccc2)C(=O)CBr
• Canonical SMILES: BrCC(=O)N1CCc2c1cccc2
• InChI: InChI=1S/C10H10BrNO/c11-7-10(13)12-6-5-8-3-1-2-4-9(8)12/h1-4H,5-7H2
• InChIKey: NCHBDJXOHMIGRE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-1-(2,3-dihydro-1H-indol-1-yl)ethan-1-one
• IUPAC Traditional name: 2-bromo-1-(2,3-dihydroindol-1-yl)ethanone
• Synonyms: 1-(bromoacetyl)indoline

Database IDs

• CAS Number: 73392-01-5
• MDL Number: MFCD00158553

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.8377498
• LogD (pH = 7.4): 1.8377498
• Log P: 1.8377498
• Molar Refractivity: 55.0832 cm^3
• Polarizability: 20.875328 Å^3
• Polar Surface Area: 20.31 Å^2