2-(2,4-dibromophenoxy)propanehydrazide

• ChemBase ID: 27342
• Molecular Formular: C9H10Br2N2O2
• Molecular Mass: 337.9959
• Monoisotopic Mass: 335.91090157
• SMILES: C(=O)(C(Oc1c(cc(cc1)Br)Br)C)NN
• Canonical SMILES: NNC(=O)C(Oc1ccc(cc1Br)Br)C
• InChI: InChI=1S/C9H10Br2N2O2/c1-5(9(14)13-12)15-8-3-2-6(10)4-7(8)11/h2-5H,12H2,1H3,(H,13,14)
• InChIKey: QWESUIKEYKFAEH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2,4-dibromophenoxy)propanehydrazide
• IUPAC Traditional name: 2-(2,4-dibromophenoxy)propanehydrazide
• Synonyms: 2-(2,4-Dibromophenoxy)propanohydrazide

Database IDs

• MDL Number: MFCD03423275
• PubChem SID: 160990649
• PubChem CID: 19618217

CALCULATED PROPERTIES

• Acid pKa: 10.721196
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 2.2950058
• LogD (pH = 7.4): 2.2962043
• Log P: 2.2964091
• Molar Refractivity: 64.6516 cm^3
• Polarizability: 25.116476 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