2-(4-chlorophenoxy)acetohydrazide

• ChemBase ID: 21600
• Molecular Formular: C8H9ClN2O2
• Molecular Mass: 200.62226
• Monoisotopic Mass: 200.03525522
• SMILES: C(=O)(NN)COc1ccc(Cl)cc1
• Canonical SMILES: NNC(=O)COc1ccc(cc1)Cl
• InChI: InChI=1S/C8H9ClN2O2/c9-6-1-3-7(4-2-6)13-5-8(12)11-10/h1-4H,5,10H2,(H,11,12)
• InChIKey: KFEHAYRYAXSMBJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-chlorophenoxy)acetohydrazide
• IUPAC Traditional name: 2-(4-chlorophenoxy)acetohydrazide
• Synonyms: 2-(4-Chlorophenoxy)acetohydrazide

Database IDs

• CAS Number: 2381-75-1
• MDL Number: MFCD00705185
• PubChem SID: 160984907
• PubChem CID: 774289

CALCULATED PROPERTIES

• Acid pKa: 11.226261
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.79276305
• LogD (pH = 7.4): 0.79407984
• Log P: 0.7941842
• Molar Refractivity: 49.7169 cm^3
• Polarizability: 19.238487 Å^3
• Polar Surface Area: 64.35 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 165 - 167 °C; 165-167°C

Safety Information

• Storage Warning: IRRITANT; Irritant
• TSCA Listed: false

Product Information

• Purity: >95%