N'-(2-chloroacetyl)-4-ethoxybenzohydrazide

• ChemBase ID: 251348
• Molecular Formular: C11H13ClN2O3
• Molecular Mass: 256.68552
• Monoisotopic Mass: 256.06146997
• SMILES: C(=O)(NNC(=O)CCl)c1ccc(cc1)OCC
• Canonical SMILES: CCOc1ccc(cc1)C(=O)NNC(=O)CCl
• InChI: InChI=1S/C11H13ClN2O3/c1-2-17-9-5-3-8(4-6-9)11(16)14-13-10(15)7-12/h3-6H,2,7H2,1H3,(H,13,15)(H,14,16)
• InChIKey: FMCKPUMDDVLOFR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N'-(2-chloroacetyl)-4-ethoxybenzohydrazide
• IUPAC Traditional name: N'-(2-chloroacetyl)-4-ethoxybenzohydrazide
• Synonyms: N'-(chloroacetyl)-4-ethoxybenzohydrazide

Database IDs

• MDL Number: MFCD00567323
• PubChem SID: 164307258
• PubChem CID: 7131715

CALCULATED PROPERTIES

• Acid pKa: 7.7403655
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.96871203
• LogD (pH = 7.4): 0.82959574
• Log P: 0.9709172
• Molar Refractivity: 63.9673 cm^3
• Polarizability: 24.332552 Å^3
• Polar Surface Area: 67.43 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.654

Product Information

• Purity: 95%