3-chloro-N'-(2-chloropropanoyl)benzohydrazide

• ChemBase ID: 252512
• Molecular Formular: C10H10Cl2N2O2
• Molecular Mass: 261.1046
• Monoisotopic Mass: 260.01193293
• SMILES: C(=O)(NNC(=O)c1cc(Cl)ccc1)C(Cl)C
• Canonical SMILES: O=C(C(Cl)C)NNC(=O)c1cccc(c1)Cl
• InChI: InChI=1S/C10H10Cl2N2O2/c1-6(11)9(15)13-14-10(16)7-3-2-4-8(12)5-7/h2-6H,1H3,(H,13,15)(H,14,16)
• InChIKey: UHNUTARSLZFICO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-chloro-N'-(2-chloropropanoyl)benzohydrazide
• IUPAC Traditional name: 3-chloro-N'-(2-chloropropanoyl)benzohydrazide
• Synonyms: 3-chloro-N'-(2-chloropropanoyl)benzohydrazide

Database IDs

• MDL Number: MFCD08444364
• PubChem SID: 164308422
• PubChem CID: 16227258

CALCULATED PROPERTIES

• Acid pKa: 6.9752007
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.931942
• LogD (pH = 7.4): 1.4962084
• Log P: 1.9445895
• Molar Refractivity: 62.0542 cm^3
• Polarizability: 23.725252 Å^3
• Polar Surface Area: 58.2 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.368

Product Information

• Purity: 95%