N-(4-bromonaphthalen-1-yl)acetamide

• ChemBase ID: 87838
• Molecular Formular: C12H10BrNO
• Molecular Mass: 264.1179
• Monoisotopic Mass: 262.99457595
• SMILES: N(c1ccc(c2ccccc12)Br)C(=O)C
• Canonical SMILES: CC(=O)Nc1ccc(c2c1cccc2)Br
• InChI: InChI=1S/C12H10BrNO/c1-8(15)14-12-7-6-11(13)9-4-2-3-5-10(9)12/h2-7H,1H3,(H,14,15)
• InChIKey: KAVKNHPXAMTURG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(4-bromonaphthalen-1-yl)acetamide
• IUPAC Traditional name: N-(4-bromonaphthalen-1-yl)acetamide
• Synonyms: N-(4-Bromo-1-naphthalen-1-yl)acetamide; 1-Acetamido-4-bromonaphthalene 98%; N-(4-BroMonaphthalen-1-yl)acetaMide

Database IDs

• CAS Number: 91394-66-0
• MDL Number: MFCD00085962
• PubChem SID: 162074878
• PubChem CID: 236431

CALCULATED PROPERTIES

• Acid pKa: 13.567392
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.9691856
• LogD (pH = 7.4): 2.9691854
• Log P: 2.9691856
• Molar Refractivity: 64.994 cm^3
• Polarizability: 25.390284 Å^3
• Polar Surface Area: 29.1 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 160-163°C

Safety Information

• Storage Warning: Irritant

Product Information

• Purity: 98%