N'-(2,5-dichlorophenyl)acetohydrazide

• ChemBase ID: 88489
• Molecular Formular: C8H8Cl2N2O
• Molecular Mass: 219.06792
• Monoisotopic Mass: 218.00136825
• SMILES: N(c1c(ccc(c1)Cl)Cl)NC(=O)C
• Canonical SMILES: CC(=O)NNc1cc(Cl)ccc1Cl
• InChI: InChI=1S/C8H8Cl2N2O/c1-5(13)11-12-8-4-6(9)2-3-7(8)10/h2-4,12H,1H3,(H,11,13)
• InChIKey: AUCOJRKPJQDINM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N'-(2,5-dichlorophenyl)acetohydrazide
• IUPAC Traditional name: N'-(2,5-dichlorophenyl)acetohydrazide
• Synonyms: N-Acetyl-N'-(2,5-dichlorophenyl)hydrazine; Acetic acid N'-(2,5-dichlorophenyl)hydrazide; N'-(2,5-Dichlorophenyl)acetohydrazide

Database IDs

• CAS Number: 14580-42-8
• PubChem SID: 162075435
• PubChem CID: 71299532

CALCULATED PROPERTIES

• Acid pKa: 11.950279
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.280004
• LogD (pH = 7.4): 2.2799933
• Log P: 2.280004
• Molar Refractivity: 53.7561 cm^3
• Polarizability: 20.185057 Å^3
• Polar Surface Area: 41.13 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 163°C

Safety Information

• Storage Warning: Harmful/Irritant/Store under Argon