3,5-dibromo-2-chlorobenzamide

• ChemBase ID: 57955
• Molecular Formular: C7H4Br2ClNO
• Molecular Mass: 313.37376
• Monoisotopic Mass: 310.83481543
• SMILES: c1c(cc(c(c1C(=O)N)Cl)Br)Br
• Canonical SMILES: Brc1cc(Br)c(c(c1)C(=O)N)Cl
• InChI: InChI=1S/C7H4Br2ClNO/c8-3-1-4(7(11)12)6(10)5(9)2-3/h1-2H,(H2,11,12)
• InChIKey: KYDKACKCSSIVBD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,5-dibromo-2-chlorobenzamide
• IUPAC Traditional name: 3,5-dibromo-2-chlorobenzamide
• Synonyms: 3,5-Dibromo-2-chlorobenzamide

Database IDs

• MDL Number: MFCD13187607
• PubChem SID: 162062718
• PubChem CID: 28689466

CALCULATED PROPERTIES

• Acid pKa: 12.579513
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.965436
• LogD (pH = 7.4): 2.9654386
• Log P: 2.965436
• Molar Refractivity: 55.1868 cm^3
• Polarizability: 21.202349 Å^3
• Polar Surface Area: 43.09 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false