4-chloro-3-iodobenzohydrazide

• ChemBase ID: 52322
• Molecular Formular: C7H6ClIN2O
• Molecular Mass: 296.49281
• Monoisotopic Mass: 295.9213385
• SMILES: C(=O)(c1cc(c(cc1)Cl)I)NN
• Canonical SMILES: NNC(=O)c1ccc(c(c1)I)Cl
• InChI: InChI=1S/C7H6ClIN2O/c8-5-2-1-4(3-6(5)9)7(12)11-10/h1-3H,10H2,(H,11,12)
• InChIKey: FHCOGDRNJWLTMG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-chloro-3-iodobenzohydrazide
• IUPAC Traditional name: 4-chloro-3-iodobenzohydrazide
• Synonyms: 4-Chloro-3-iodobenzhydrazide

Database IDs

• MDL Number: MFCD03425678
• PubChem SID: 162057085
• PubChem CID: 3894136

CALCULATED PROPERTIES

• Acid pKa: 13.907872
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.0595489
• LogD (pH = 7.4): 2.0603888
• Log P: 2.0603995
• Molar Refractivity: 57.7878 cm^3
• Polarizability: 21.854797 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 164-166°C

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false