2-(4-bromophenoxy)propanamide

• ChemBase ID: 312051
• Molecular Formular: C9H10BrNO2
• Molecular Mass: 244.0852
• Monoisotopic Mass: 242.98949057
• SMILES: C(=O)(C(Oc1ccc(Br)cc1)C)N
• Canonical SMILES: CC(C(=O)N)Oc1ccc(cc1)Br
• InChI: InChI=1S/C9H10BrNO2/c1-6(9(11)12)13-8-4-2-7(10)3-5-8/h2-6H,1H3,(H2,11,12)
• InChIKey: GBEDJWZQBGSKBM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 360791-98-6
• MDL Number: MFCD04219739

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.8241321
• LogD (pH = 7.4): 1.8241322
• Log P: 1.8241321
• Molar Refractivity: 52.5447 cm^3
• Polarizability: 20.611536 Å^3
• Polar Surface Area: 52.32 Å^2