N'-(2-chloroacetyl)-2-(2-methylphenyl)acetohydrazide

• ChemBase ID: 239354
• Molecular Formular: C11H13ClN2O2
• Molecular Mass: 240.68612
• Monoisotopic Mass: 240.06655535
• SMILES: C(=O)(NNC(=O)Cc1c(C)cccc1)CCl
• Canonical SMILES: ClCC(=O)NNC(=O)Cc1ccccc1C
• InChI: InChI=1S/C11H13ClN2O2/c1-8-4-2-3-5-9(8)6-10(15)13-14-11(16)7-12/h2-5H,6-7H2,1H3,(H,13,15)(H,14,16)
• InChIKey: PXUBQZXHGZIBSV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N'-(2-chloroacetyl)-2-(2-methylphenyl)acetohydrazide
• IUPAC Traditional name: N'-(2-chloroacetyl)-2-(2-methylphenyl)acetohydrazide
• Synonyms: N'-(2-chloroacetyl)-2-(2-methylphenyl)acetohydrazide

Database IDs

• MDL Number: MFCD22378725
• PubChem SID: 164295264
• PubChem CID: 71756394

CALCULATED PROPERTIES

• Acid pKa: 8.301463
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.2647601
• LogD (pH = 7.4): 1.2201977
• Log P: 1.2653673
• Molar Refractivity: 61.8481 cm^3
• Polarizability: 23.742344 Å^3
• Polar Surface Area: 58.2 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.232

Product Information

• Purity: 95%