3-iodo-4-methoxybenzohydrazide

• ChemBase ID: 21604
• Molecular Formular: C8H9IN2O2
• Molecular Mass: 292.07373
• Monoisotopic Mass: 291.97087554
• SMILES: C(=O)(c1cc(c(cc1)OC)I)NN
• Canonical SMILES: NNC(=O)c1ccc(c(c1)I)OC
• InChI: InChI=1S/C8H9IN2O2/c1-13-7-3-2-5(4-6(7)9)8(12)11-10/h2-4H,10H2,1H3,(H,11,12)
• InChIKey: OIVVKVDRYMBKNJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-iodo-4-methoxybenzohydrazide
• IUPAC Traditional name: 3-iodo-4-methoxybenzohydrazide
• Synonyms: 3-Iodo-4-methoxybenzohydrazide

Database IDs

• MDL Number: MFCD02025091
• PubChem SID: 160984911
• PubChem CID: 4988416

CALCULATED PROPERTIES

• Acid pKa: 14.210496
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.2977694
• LogD (pH = 7.4): 1.2986721
• Log P: 1.2986836
• Molar Refractivity: 59.4462 cm^3
• Polarizability: 22.417425 Å^3
• Polar Surface Area: 64.35 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false