2-(4-chlorophenoxy)-2-methylpropanehydrazide

• ChemBase ID: 55912
• Molecular Formular: C10H13ClN2O2
• Molecular Mass: 228.67542
• Monoisotopic Mass: 228.06655535
• SMILES: C(=O)(C(Oc1ccc(Cl)cc1)(C)C)NN
• Canonical SMILES: NNC(=O)C(Oc1ccc(cc1)Cl)(C)C
• InChI: InChI=1S/C10H13ClN2O2/c1-10(2,9(14)13-12)15-8-5-3-7(11)4-6-8/h3-6H,12H2,1-2H3,(H,13,14)
• InChIKey: HHDXKYSLBTXCGP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD03759757
• PubChem SID: 162060675
• PubChem CID: 696407

CALCULATED PROPERTIES

• Acid pKa: 11.420409
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.7943357
• LogD (pH = 7.4): 1.7956594
• Log P: 1.7957144
• Molar Refractivity: 58.9241 cm^3
• Polarizability: 22.89716 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