2-(2,6-dichlorophenyl)acetohydrazide

• ChemBase ID: 27135
• Molecular Formular: C8H8Cl2N2O
• Molecular Mass: 219.06792
• Monoisotopic Mass: 218.00136825
• SMILES: c1(CC(=O)NN)c(Cl)cccc1Cl
• Canonical SMILES: NNC(=O)Cc1c(Cl)cccc1Cl
• InChI: InChI=1S/C8H8Cl2N2O/c9-6-2-1-3-7(10)5(6)4-8(13)12-11/h1-3H,4,11H2,(H,12,13)
• InChIKey: JKMIQRZALCSJNU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2,6-dichlorophenyl)acetohydrazide
• IUPAC Traditional name: 2-(2,6-dichlorophenyl)acetohydrazide
• Synonyms: 2-(2,6-Dichlorophenyl)acetohydrazide

Database IDs

• CAS Number: 129564-34-7
• MDL Number: MFCD01923147
• PubChem SID: 160990442
• PubChem CID: 5171763

CALCULATED PROPERTIES

• Acid pKa: 10.77741
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.7138487
• LogD (pH = 7.4): 1.7145948
• Log P: 1.7156651
• Molar Refractivity: 53.2815 cm^3
• Polarizability: 20.459057 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false