N-phenylbenzenecarbohydrazonoyl chloride

• ChemBase ID: 83858
• Molecular Formular: C13H11ClN2
• Molecular Mass: 230.69284
• Monoisotopic Mass: 230.06107604
• SMILES: N(=C(\c1ccccc1)/Cl)/Nc1ccccc1
• Canonical SMILES: Cl/C(=N\Nc1ccccc1)/c1ccccc1
• InChI: InChI=1S/C13H11ClN2/c14-13(11-7-3-1-4-8-11)16-15-12-9-5-2-6-10-12/h1-10,15H
• InChIKey: IUSCIWAUZVKPPY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-phenylbenzenecarbohydrazonoyl chloride
• IUPAC Traditional name: N-phenylbenzenecarbohydrazonoyl chloride
• Synonyms: N1-phenylbenzene-1-carbohydrazonoyl chloride

Database IDs

• MDL Number: MFCD00180187
• PubChem SID: 162070975
• PubChem CID: 7290563

CALCULATED PROPERTIES

• Acid pKa: 15.220824
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 4.2778816
• LogD (pH = 7.4): 4.278933
• Log P: 4.279023
• Molar Refractivity: 68.9104 cm^3
• Polarizability: 25.447636 Å^3
• Polar Surface Area: 24.39 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true