4-(4-bromophenyl)piperidine-2,6-dione

• ChemBase ID: 118344
• Molecular Formular: C11H10BrNO2
• Molecular Mass: 268.1066
• Monoisotopic Mass: 266.98949057
• SMILES: N1C(=O)CC(CC1=O)c1ccc(cc1)Br
• Canonical SMILES: O=C1CC(CC(=O)N1)c1ccc(cc1)Br
• InChI: InChI=1S/C11H10BrNO2/c12-9-3-1-7(2-4-9)8-5-10(14)13-11(15)6-8/h1-4,8H,5-6H2,(H,13,14,15)
• InChIKey: SNIAVEPVHCNSOA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(4-bromophenyl)piperidine-2,6-dione
• IUPAC Traditional name: 4-(4-bromophenyl)piperidine-2,6-dione
• Synonyms: 4-(4-bromophenyl)piperidine-2,6-dione

Database IDs

• CAS Number: 1137-60-6
• MDL Number: MFCD11046540
• PubChem SID: 162091165
• PubChem CID: 12463511

CALCULATED PROPERTIES

• Polarizability: 22.951937 Å^3
• Polar Surface Area: 46.17 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• Acid pKa: 11.543858
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.6406724
• LogD (pH = 7.4): 1.6406419
• Log P: 1.6406728
• Molar Refractivity: 59.1488 cm^3

PROPERTIES

Physical Property

• Partition Coefficient: 1.623

Product Information

• Purity: 95+%