5-bromo-2-chlorobenzamide

• ChemBase ID: 308639
• Molecular Formular: C7H5BrClNO
• Molecular Mass: 234.4777
• Monoisotopic Mass: 232.92430347
• SMILES: c1(C(=O)N)c(ccc(c1)Br)Cl
• Canonical SMILES: Brc1ccc(c(c1)C(=O)N)Cl
• InChI: InChI=1S/C7H5BrClNO/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3H,(H2,10,11)
• InChIKey: UZELTISECDSPNW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 188774-55-2
• MDL Number: MFCD00482914

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.1966832
• LogD (pH = 7.4): 2.1966848
• Log P: 2.1966834
• Molar Refractivity: 47.564 cm^3
• Polarizability: 18.04905 Å^3
• Polar Surface Area: 43.09 Å^2