2-(3,4-dichlorophenoxy)propanehydrazide

• ChemBase ID: 27208
• Molecular Formular: C9H10Cl2N2O2
• Molecular Mass: 249.0939
• Monoisotopic Mass: 248.01193293
• SMILES: C(=O)(C(Oc1cc(c(cc1)Cl)Cl)C)NN
• Canonical SMILES: NNC(=O)C(Oc1ccc(c(c1)Cl)Cl)C
• InChI: InChI=1S/C9H10Cl2N2O2/c1-5(9(14)13-12)15-6-2-3-7(10)8(11)4-6/h2-5H,12H2,1H3,(H,13,14)
• InChIKey: QRDXUCWCNIUPTK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3,4-dichlorophenoxy)propanehydrazide
• IUPAC Traditional name: 2-(3,4-dichlorophenoxy)propanehydrazide
• Synonyms: 2-(3,4-Dichlorophenoxy)propanohydrazide

Database IDs

• CAS Number: 588673-62-5
• MDL Number: MFCD00210182
• PubChem SID: 160990515
• PubChem CID: 4989168

CALCULATED PROPERTIES

• Acid pKa: 10.63615
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.9655795
• LogD (pH = 7.4): 1.9664844
• Log P: 1.9669931
• Molar Refractivity: 59.0156 cm^3
• Polarizability: 23.034967 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