2-(4-bromo-2-methylphenoxy)acetamide

• ChemBase ID: 311857
• Molecular Formular: C9H10BrNO2
• Molecular Mass: 244.0852
• Monoisotopic Mass: 242.98949057
• SMILES: c1(c(OCC(=O)N)ccc(c1)Br)C
• Canonical SMILES: NC(=O)COc1ccc(cc1C)Br
• InChI: InChI=1S/C9H10BrNO2/c1-6-4-7(10)2-3-8(6)13-5-9(11)12/h2-4H,5H2,1H3,(H2,11,12)
• InChIKey: JMDNALLRVXHSPT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 35368-76-4
• MDL Number: MFCD03168718

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.7687893
• LogD (pH = 7.4): 1.7687893
• Log P: 1.7687893
• Molar Refractivity: 53.092 cm^3
• Polarizability: 20.54288 Å^3
• Polar Surface Area: 52.32 Å^2