2-(4-bromophenoxy)-N-methylacetamide

• ChemBase ID: 311944
• Molecular Formular: C9H10BrNO2
• Molecular Mass: 244.0852
• Monoisotopic Mass: 242.98949057
• SMILES: C(=O)(NC)COc1ccc(Br)cc1
• Canonical SMILES: CNC(=O)COc1ccc(cc1)Br
• InChI: InChI=1S/C9H10BrNO2/c1-11-9(12)6-13-8-4-2-7(10)3-5-8/h2-5H,6H2,1H3,(H,11,12)
• InChIKey: GOGDOCGPOHQRHN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-bromophenoxy)-N-methylacetamide
• IUPAC Traditional name: 2-(4-bromophenoxy)-N-methylacetamide
• Synonyms: 2-(4-bromophenoxy)-N-methylacetamide

Database IDs

• CAS Number: 875621-88-8
• MDL Number: MFCD07292493

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.479044
• LogD (pH = 7.4): 1.4790438
• Log P: 1.479044
• Molar Refractivity: 52.9475 cm^3
• Polarizability: 20.611685 Å^3
• Polar Surface Area: 38.33 Å^2