N'-(2,2-dichloroacetyl)benzohydrazide

• ChemBase ID: 277820
• Molecular Formular: C9H8Cl2N2O2
• Molecular Mass: 247.07802
• Monoisotopic Mass: 245.99628287
• SMILES: C(=O)(NNC(=O)c1ccccc1)C(Cl)Cl
• Canonical SMILES: ClC(C(=O)NNC(=O)c1ccccc1)Cl
• InChI: InChI=1S/C9H8Cl2N2O2/c10-7(11)9(15)13-12-8(14)6-4-2-1-3-5-6/h1-5,7H,(H,12,14)(H,13,15)
• InChIKey: DOOTWISQOYOCKS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N'-(2,2-dichloroacetyl)benzohydrazide
• IUPAC Traditional name: N'-(2,2-dichloroacetyl)benzohydrazide
• Synonyms: N'-(2,2-dichloroacetyl)benzohydrazide

Database IDs

• MDL Number: MFCD00455944
• PubChem SID: 164333730
• PubChem CID: 456722

CALCULATED PROPERTIES

• Acid pKa: 5.2158923
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.1361848
• LogD (pH = 7.4): 0.59442276
• Log P: 1.5159651
• Molar Refractivity: 57.9781 cm^3
• Polarizability: 21.876766 Å^3
• Polar Surface Area: 58.2 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 184 - 186°C
• Hydrophobicity(logP): 1.637

Product Information

• Purity: 95%