7-bromo-1-ethyl-5-methyl-2,3-dihydro-1H-indole-2,3-dione

• ChemBase ID: 308043
• Molecular Formular: C11H10BrNO2
• Molecular Mass: 268.1066
• Monoisotopic Mass: 266.98949057
• SMILES: N1(C(=O)C(=O)c2c1c(cc(c2)C)Br)CC
• Canonical SMILES: CCN1C(=O)C(=O)c2c1c(Br)cc(c2)C
• InChI: InChI=1S/C11H10BrNO2/c1-3-13-9-7(10(14)11(13)15)4-6(2)5-8(9)12/h4-5H,3H2,1-2H3
• InChIKey: YZOKQXZKPAIFCT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-bromo-1-ethyl-5-methyl-2,3-dihydro-1H-indole-2,3-dione
• IUPAC Traditional name: 7-bromo-1-ethyl-5-methylindole-2,3-dione
• Synonyms: 7-bromo-1-ethyl-5-methyl-1H-indole-2,3-dione

Database IDs

• CAS Number: 937664-94-3
• MDL Number: MFCD08754533

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.4545915
• LogD (pH = 7.4): 2.4545915
• Log P: 2.4545915
• Molar Refractivity: 61.0035 cm^3
• Polarizability: 22.851807 Å^3
• Polar Surface Area: 37.38 Å^2