2-(2-bromophenoxy)propanamide

• ChemBase ID: 312317
• Molecular Formular: C9H10BrNO2
• Molecular Mass: 244.0852
• Monoisotopic Mass: 242.98949057
• SMILES: C(=O)(C(Oc1c(Br)cccc1)C)N
• Canonical SMILES: NC(=O)C(Oc1ccccc1Br)C
• InChI: InChI=1S/C9H10BrNO2/c1-6(9(11)12)13-8-5-3-2-4-7(8)10/h2-6H,1H3,(H2,11,12)
• InChIKey: FVIIVIULKTZXPI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 915920-68-2
• MDL Number: MFCD08691896

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: 20.618668 Å^3
• Polar Surface Area: 52.32 Å^2