5-bromo-2-ethoxybenzamide

• ChemBase ID: 312405
• Molecular Formular: C9H10BrNO2
• Molecular Mass: 244.0852
• Monoisotopic Mass: 242.98949057
• SMILES: c1(C(=O)N)c(ccc(c1)Br)OCC
• Canonical SMILES: CCOc1ccc(cc1C(=O)N)Br
• InChI: InChI=1S/C9H10BrNO2/c1-2-13-8-4-3-6(10)5-7(8)9(11)12/h3-5H,2H2,1H3,(H2,11,12)
• InChIKey: GYBYBNXUVMGMLC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-bromo-2-ethoxybenzamide
• IUPAC Traditional name: 5-bromo-2-ethoxybenzamide
• Synonyms: 5-bromo-2-ethoxybenzamide

Database IDs

• CAS Number: 54924-78-6
• MDL Number: MFCD07551819

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.7917753
• LogD (pH = 7.4): 1.7917758
• Log P: 1.7917755
• Molar Refractivity: 53.971 cm^3
• Polarizability: 20.415972 Å^3
• Polar Surface Area: 52.32 Å^2