5-bromo-2-(dimethylamino)benzaldehyde

• ChemBase ID: 291326
• Molecular Formular: C9H10BrNO
• Molecular Mass: 228.0858
• Monoisotopic Mass: 226.99457595
• SMILES: O=Cc1cc(Br)ccc1N(C)C
• Canonical SMILES: O=Cc1cc(Br)ccc1N(C)C
• InChI: InChI=1S/C9H10BrNO/c1-11(2)9-4-3-8(10)5-7(9)6-12/h3-6H,1-2H3
• InChIKey: KELBDTNCLYIYKB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-bromo-2-(dimethylamino)benzaldehyde
• IUPAC Traditional name: 5-bromo-2-(dimethylamino)benzaldehyde
• Synonyms: 5-Bromo-2-(dimethylamino)benzaldehyde

Database IDs

• CAS Number: 171881-36-0
• MDL Number: MFCD20529529
• PubChem SID: 180676857
• PubChem CID: 15758345

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.562327
• LogD (pH = 7.4): 2.562542
• Log P: 2.5625446
• Molar Refractivity: 54.6934 cm^3
• Polarizability: 19.8471 Å^3
• Polar Surface Area: 20.31 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%