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

• ChemBase ID: 251252
• Molecular Formular: C10H11ClN2O3
• Molecular Mass: 242.65894
• Monoisotopic Mass: 242.0458199
• SMILES: C(=O)(NNC(=O)CCl)c1ccc(cc1)OC
• Canonical SMILES: ClCC(=O)NNC(=O)c1ccc(cc1)OC
• InChI: InChI=1S/C10H11ClN2O3/c1-16-8-4-2-7(3-5-8)10(15)13-12-9(14)6-11/h2-5H,6H2,1H3,(H,12,14)(H,13,15)
• InChIKey: ZZBKWQOQKPTOCN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 50677-25-3
• MDL Number: MFCD00594041
• PubChem SID: 164307162
• PubChem CID: 4844801

CALCULATED PROPERTIES

• Acid pKa: 7.621784
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.61121464
• LogD (pH = 7.4): 0.43871272
• Log P: 0.6141093
• Molar Refractivity: 59.2187 cm^3
• Polarizability: 22.510805 Å^3
• Polar Surface Area: 67.43 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.125

Product Information

• Purity: 95%