4-chloro-3-iodobenzamide

• ChemBase ID: 90837
• Molecular Formular: C7H5ClINO
• Molecular Mass: 281.47817
• Monoisotopic Mass: 280.91043947
• SMILES: Clc1ccc(cc1I)C(=O)N
• Canonical SMILES: NC(=O)c1ccc(c(c1)I)Cl
• InChI: InChI=1S/C7H5ClINO/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3H,(H2,10,11)
• InChIKey: DTCJMBKOAKXIQD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-chloro-3-iodobenzamide
• IUPAC Traditional name: 4-chloro-3-iodobenzamide
• Synonyms: 4-Chloro-3-iodobenzamide

Database IDs

• CAS Number: 791137-24-1
• PubChem SID: 162077546
• PubChem CID: 22115576

CALCULATED PROPERTIES

• Acid pKa: 14.016313
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.3568752
• LogD (pH = 7.4): 2.3568754
• Log P: 2.3568752
• Molar Refractivity: 53.3037 cm^3
• Polarizability: 20.427572 Å^3
• Polar Surface Area: 43.09 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Harmful/Irritant/Light Sensitive