2-(2-chlorophenoxy)propanehydrazide

• ChemBase ID: 27202
• Molecular Formular: C9H11ClN2O2
• Molecular Mass: 214.64884
• Monoisotopic Mass: 214.05090528
• SMILES: C(=O)(C(Oc1c(Cl)cccc1)C)NN
• Canonical SMILES: NNC(=O)C(Oc1ccccc1Cl)C
• InChI: InChI=1S/C9H11ClN2O2/c1-6(9(13)12-11)14-8-5-3-2-4-7(8)10/h2-6H,11H2,1H3,(H,12,13)
• InChIKey: JDYLDTKUYDWSFQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-chlorophenoxy)propanehydrazide
• IUPAC Traditional name: 2-(2-chlorophenoxy)propanehydrazide
• Synonyms: 2-(2-Chlorophenoxy)propanohydrazide

Database IDs

• CAS Number: 52094-94-7
• MDL Number: MFCD01930247
• PubChem SID: 160990509
• PubChem CID: 3388358

CALCULATED PROPERTIES

• Acid pKa: 11.338235
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.3615485
• LogD (pH = 7.4): 1.3628641
• Log P: 1.3629484
• Molar Refractivity: 54.2108 cm^3
• Polarizability: 21.092258 Å^3
• Polar Surface Area: 64.35 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false