4-chloro-N'-(4-chlorobutanoyl)benzohydrazide

• ChemBase ID: 234599
• Molecular Formular: C11H12Cl2N2O2
• Molecular Mass: 275.13118
• Monoisotopic Mass: 274.02758299
• SMILES: C(=O)(NNC(=O)CCCCl)c1ccc(cc1)Cl
• Canonical SMILES: ClCCCC(=O)NNC(=O)c1ccc(cc1)Cl
• InChI: InChI=1S/C11H12Cl2N2O2/c12-7-1-2-10(16)14-15-11(17)8-3-5-9(13)6-4-8/h3-6H,1-2,7H2,(H,14,16)(H,15,17)
• InChIKey: LLMHYOYQHBITIV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-chloro-N'-(4-chlorobutanoyl)benzohydrazide
• IUPAC Traditional name: 4-chloro-N'-(4-chlorobutanoyl)benzohydrazide
• Synonyms: 4-chloro-N'-(4-chlorobutanoyl)benzohydrazide

Database IDs

• MDL Number: MFCD04094807
• PubChem SID: 164290509
• PubChem CID: 3852364

CALCULATED PROPERTIES

• Acid pKa: 8.676466
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.901243
• LogD (pH = 7.4): 1.8817207
• Log P: 1.9014992
• Molar Refractivity: 67.0147 cm^3
• Polarizability: 25.544506 Å^3
• Polar Surface Area: 58.2 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.147

Product Information

• Purity: 95%