N-(2-bromo-4-methoxyphenyl)acetamide

• ChemBase ID: 815571
• Molecular Formular: C9H10BrNO2
• Molecular Mass: 244.0852
• Monoisotopic Mass: 242.98949057
• SMILES: CC(=O)Nc1c(cc(cc1)OC)Br
• Canonical SMILES: COc1ccc(c(c1)Br)NC(=O)C
• InChI: InChI=1S/C9H10BrNO2/c1-6(12)11-9-4-3-7(13-2)5-8(9)10/h3-5H,1-2H3,(H,11,12)
• InChIKey: AXORYKRDGLYSCK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-bromo-4-methoxyphenyl)acetamide
• IUPAC Traditional name: N-(2-bromo-4-methoxyphenyl)acetamide
• Synonyms: N-(2-bromo-4-methoxyphenyl)acetamide

Database IDs

• CAS Number: 79069-37-7

CALCULATED PROPERTIES

• Acid pKa: 13.465158
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.8220376
• LogD (pH = 7.4): 1.8220372
• Log P: 1.8220376
• Molar Refractivity: 55.007 cm^3
• Polarizability: 20.604507 Å^3
• Polar Surface Area: 38.33 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%