2,6-dichlorobenzohydrazide

• ChemBase ID: 269569
• Molecular Formular: C7H6Cl2N2O
• Molecular Mass: 205.04134
• Monoisotopic Mass: 203.98571818
• SMILES: c1(C(=O)NN)c(Cl)cccc1Cl
• Canonical SMILES: NNC(=O)c1c(Cl)cccc1Cl
• InChI: InChI=1S/C7H6Cl2N2O/c8-4-2-1-3-5(9)6(4)7(12)11-10/h1-3H,10H2,(H,11,12)
• InChIKey: RZTXCLYVFUMCQM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,6-dichlorobenzohydrazide
• IUPAC Traditional name: 2,6-dichlorobenzohydrazide
• Synonyms: 2,6-dichlorobenzohydrazide

Database IDs

• MDL Number: MFCD09806345
• PubChem SID: 164325479
• PubChem CID: 19907604

CALCULATED PROPERTIES

• Acid pKa: 11.942644
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.734847
• LogD (pH = 7.4): 1.7354803
• Log P: 1.7354997
• Molar Refractivity: 49.2301 cm^3
• Polarizability: 18.463612 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 180 - 182°C
• Hydrophobicity(logP): 0.228

Product Information

• Purity: 95%