N-hydroxy-4-iodobenzamide

• ChemBase ID: 262954
• Molecular Formular: C7H6INO2
• Molecular Mass: 263.03251
• Monoisotopic Mass: 262.94432644
• SMILES: C(=O)(c1ccc(cc1)I)NO
• Canonical SMILES: ONC(=O)c1ccc(cc1)I
• InChI: InChI=1S/C7H6INO2/c8-6-3-1-5(2-4-6)7(10)9-11/h1-4,11H,(H,9,10)
• InChIKey: HXIKIQLHKIBCOH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-hydroxy-4-iodobenzamide
• IUPAC Traditional name: N-hydroxy-4-iodobenzamide
• Synonyms: N-hydroxy-4-iodobenzamide

Database IDs

• MDL Number: MFCD11174917
• PubChem SID: 164318864
• PubChem CID: 615643

CALCULATED PROPERTIES

• Acid pKa: 9.64255
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.7496177
• LogD (pH = 7.4): 1.7471824
• Log P: 1.7496488
• Molar Refractivity: 50.2635 cm^3
• Polarizability: 19.137487 Å^3
• Polar Surface Area: 49.33 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.58

Product Information

• Purity: 95%