2-(4-bromo-2-chlorophenoxy)propanehydrazide

• ChemBase ID: 27188
• Molecular Formular: C9H10BrClN2O2
• Molecular Mass: 293.5449
• Monoisotopic Mass: 291.96141725
• SMILES: C(=O)(C(Oc1c(cc(cc1)Br)Cl)C)NN
• Canonical SMILES: NNC(=O)C(Oc1ccc(cc1Cl)Br)C
• InChI: InChI=1S/C9H10BrClN2O2/c1-5(9(14)13-12)15-8-3-2-6(10)4-7(8)11/h2-5H,12H2,1H3,(H,13,14)
• InChIKey: RKNFXQJEWVQEOS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-bromo-2-chlorophenoxy)propanehydrazide
• IUPAC Traditional name: 2-(4-bromo-2-chlorophenoxy)propanehydrazide
• Synonyms: 2-(4-Bromo-2-chlorophenoxy)propanohydrazide

Database IDs

• CAS Number: 588679-51-0
• MDL Number: MFCD03423121
• PubChem SID: 160990495
• PubChem CID: 3836733

CALCULATED PROPERTIES

• LogD (pH = 7.4): 2.1312344
• Log P: 2.131701
• Molar Refractivity: 61.8336 cm^3
• Polarizability: 24.040247 Å^3
• Polar Surface Area: 64.35 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true
• Acid pKa: 10.674642
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 2.130289

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false