2-bromo-N-(thiophen-2-ylmethyl)acetamide

• ChemBase ID: 307809
• Molecular Formular: C7H8BrNOS
• Molecular Mass: 234.11352
• Monoisotopic Mass: 232.95099688
• SMILES: s1c(ccc1)CNC(=O)CBr
• Canonical SMILES: BrCC(=O)NCc1cccs1
• InChI: InChI=1S/C7H8BrNOS/c8-4-7(10)9-5-6-2-1-3-11-6/h1-3H,4-5H2,(H,9,10)
• InChIKey: XFGFQNGEXUDOOD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-N-(thiophen-2-ylmethyl)acetamide
• IUPAC Traditional name: 2-bromo-N-(thiophen-2-ylmethyl)acetamide
• Synonyms: 2-bromo-N-(2-thienylmethyl)acetamide

Database IDs

• CAS Number: 883526-96-3
• MDL Number: MFCD06800381

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.5535812
• LogD (pH = 7.4): 1.5535794
• Log P: 1.5535814
• Molar Refractivity: 48.6018 cm^3
• Polarizability: 18.597778 Å^3
• Polar Surface Area: 29.1 Å^2