2-(2-chloro-4-fluorophenoxy)propanehydrazide

• ChemBase ID: 27216
• Molecular Formular: C9H10ClFN2O2
• Molecular Mass: 232.6393032
• Monoisotopic Mass: 232.04148347
• SMILES: C(=O)(C(Oc1c(cc(cc1)F)Cl)C)NN
• Canonical SMILES: NNC(=O)C(Oc1ccc(cc1Cl)F)C
• InChI: InChI=1S/C9H10ClFN2O2/c1-5(9(14)13-12)15-8-3-2-6(11)4-7(8)10/h2-5H,12H2,1H3,(H,13,14)
• InChIKey: WOSRIVSCOGEMCI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-chloro-4-fluorophenoxy)propanehydrazide
• IUPAC Traditional name: 2-(2-chloro-4-fluorophenoxy)propanehydrazide
• Synonyms: 2-(2-Chloro-4-fluorophenoxy)propanohydrazide

Database IDs

• CAS Number: 588677-35-4
• MDL Number: MFCD03423135
• PubChem SID: 160990523
• PubChem CID: 3732741

CALCULATED PROPERTIES

• Acid pKa: 10.608622
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.5042355
• LogD (pH = 7.4): 1.5051093
• Log P: 1.5056504
• Molar Refractivity: 54.4272 cm^3
• Polarizability: 20.86847 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