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

• ChemBase ID: 311922
• Molecular Formular: C9H10BrNO2
• Molecular Mass: 244.0852
• Monoisotopic Mass: 242.98949057
• SMILES: N(c1c(cc(cc1)Br)OC)C(=O)C
• Canonical SMILES: COc1cc(Br)ccc1NC(=O)C
• InChI: InChI=1S/C9H10BrNO2/c1-6(12)11-8-4-3-7(10)5-9(8)13-2/h3-5H,1-2H3,(H,11,12)
• InChIKey: OXHBMBUYHWMWKM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 143360-01-4
• MDL Number: MFCD00460756

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.8220375
• LogD (pH = 7.4): 1.8220347
• Log P: 1.8220376
• Molar Refractivity: 55.007 cm^3
• Polarizability: 20.601719 Å^3
• Polar Surface Area: 38.33 Å^2