2-chloro-N-[chloro(2-chlorophenyl)methylidene]benzene-1-carbohydrazonoyl chloride

• ChemBase ID: 87110
• Molecular Formular: C14H8Cl4N2
• Molecular Mass: 346.03872
• Monoisotopic Mass: 343.94415899
• SMILES: N(=C(\c1ccccc1Cl)/Cl)/N=C(/c1ccccc1Cl)\Cl
• Canonical SMILES: Clc1ccccc1/C(=N/N=C(/c1ccccc1Cl)\Cl)/Cl
• InChI: InChI=1S/C14H8Cl4N2/c15-11-7-3-1-5-9(11)13(17)19-20-14(18)10-6-2-4-8-12(10)16/h1-8H
• InChIKey: STSYYFNBAHTXBF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-N-[chloro(2-chlorophenyl)methylidene]benzene-1-carbohydrazonoyl chloride
• IUPAC Traditional name: 2-chloro-N-[chloro(2-chlorophenyl)methylidene]benzenecarbohydrazonoyl chloride
• Synonyms: 1,2-di[chloro(2-chlorophenyl)methylidene]hydrazine

Database IDs

• MDL Number: MFCD00663404
• PubChem SID: 162074226
• PubChem CID: 9577122

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 5.605168
• LogD (pH = 7.4): 5.605168
• Log P: 5.605168
• Molar Refractivity: 86.4692 cm^3
• Polarizability: 32.545246 Å^3
• Polar Surface Area: 24.72 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: false