N'-(2-chloroacetyl)-2-(4-chlorophenoxy)acetohydrazide

• ChemBase ID: 251195
• Molecular Formular: C10H10Cl2N2O3
• Molecular Mass: 277.104
• Monoisotopic Mass: 276.00684755
• SMILES: C(=O)(NNC(=O)CCl)COc1ccc(Cl)cc1
• Canonical SMILES: ClCC(=O)NNC(=O)COc1ccc(cc1)Cl
• InChI: InChI=1S/C10H10Cl2N2O3/c11-5-9(15)13-14-10(16)6-17-8-3-1-7(12)2-4-8/h1-4H,5-6H2,(H,13,15)(H,14,16)
• InChIKey: IYYJWBZRMUZXOK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N'-(2-chloroacetyl)-2-(4-chlorophenoxy)acetohydrazide
• IUPAC Traditional name: N'-(2-chloroacetyl)-2-(4-chlorophenoxy)acetohydrazide
• Synonyms: 2-chloro-N'-[(4-chlorophenoxy)acetyl]acetohydrazide

Database IDs

• MDL Number: MFCD01121440
• PubChem SID: 164307105
• PubChem CID: 2468236

CALCULATED PROPERTIES

• Acid pKa: 7.0435705
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.0277197
• LogD (pH = 7.4): 0.62248486
• Log P: 1.0385543
• Molar Refractivity: 62.8519 cm^3
• Polarizability: 24.662746 Å^3
• Polar Surface Area: 67.43 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.887

Product Information

• Purity: 95%