N-(3-bromophenyl)-2-methoxyacetamide

• ChemBase ID: 311698
• Molecular Formular: C9H10BrNO2
• Molecular Mass: 244.0852
• Monoisotopic Mass: 242.98949057
• SMILES: C(=O)(Nc1cc(Br)ccc1)COC
• Canonical SMILES: COCC(=O)Nc1cccc(c1)Br
• InChI: InChI=1S/C9H10BrNO2/c1-13-6-9(12)11-8-4-2-3-7(10)5-8/h2-5H,6H2,1H3,(H,11,12)
• InChIKey: CWUFAQUGJVSSBQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3-bromophenyl)-2-methoxyacetamide
• IUPAC Traditional name: N-(3-bromophenyl)-2-methoxyacetamide
• Synonyms: N-(3-bromophenyl)-2-methoxyacetamide

Database IDs

• CAS Number: 430463-83-5
• MDL Number: MFCD03139019

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.8055873
• LogD (pH = 7.4): 1.8055856
• Log P: 1.8055873
• Molar Refractivity: 54.9972 cm^3
• Polarizability: 20.615295 Å^3
• Polar Surface Area: 38.33 Å^2