2-chloro-N'-(2,4,6-trichlorophenyl)acetohydrazide

• ChemBase ID: 78897
• Molecular Formular: C8H6Cl4N2O
• Molecular Mass: 287.95804
• Monoisotopic Mass: 285.92342354
• SMILES: N(c1c(cc(cc1Cl)Cl)Cl)NC(=O)CCl
• Canonical SMILES: ClCC(=O)NNc1c(Cl)cc(cc1Cl)Cl
• InChI: InChI=1S/C8H6Cl4N2O/c9-3-7(15)13-14-8-5(11)1-4(10)2-6(8)12/h1-2,14H,3H2,(H,13,15)
• InChIKey: ASBSNXSEPXJVRW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-N'-(2,4,6-trichlorophenyl)acetohydrazide
• IUPAC Traditional name: 2-chloro-N'-(2,4,6-trichlorophenyl)acetohydrazide
• Synonyms: N'1-(2,4,6-trichlorophenyl)-2-chloroethanohydrazide

Database IDs

• MDL Number: MFCD00275707
• PubChem SID: 162043660
• PubChem CID: 735781

CALCULATED PROPERTIES

• Acid pKa: 9.878264
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 3.4213765
• LogD (pH = 7.4): 3.4201157
• Log P: 3.4213927
• Molar Refractivity: 63.3141 cm^3
• Polarizability: 24.077654 Å^3
• Polar Surface Area: 41.13 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true