2-(2-chloro-5-methylphenoxy)propanehydrazide

• ChemBase ID: 27187
• Molecular Formular: C10H13ClN2O2
• Molecular Mass: 228.67542
• Monoisotopic Mass: 228.06655535
• SMILES: C(=O)(C(Oc1c(ccc(c1)C)Cl)C)NN
• Canonical SMILES: CC(C(=O)NN)Oc1cc(C)ccc1Cl
• InChI: InChI=1S/C10H13ClN2O2/c1-6-3-4-8(11)9(5-6)15-7(2)10(14)13-12/h3-5,7H,12H2,1-2H3,(H,13,14)
• InChIKey: GFSYSNACBDIEIP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-chloro-5-methylphenoxy)propanehydrazide
• IUPAC Traditional name: 2-(2-chloro-5-methylphenoxy)propanehydrazide
• Synonyms: 2-(2-Chloro-5-methylphenoxy)propanohydrazide

Database IDs

• CAS Number: 588680-01-7
• MDL Number: MFCD03423120
• PubChem SID: 160990494
• PubChem CID: 3271882

CALCULATED PROPERTIES

• Acid pKa: 11.500702
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.8749708
• LogD (pH = 7.4): 1.8763064
• Log P: 1.8763698
• Molar Refractivity: 59.252 cm^3
• Polarizability: 22.845943 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