2-(4-bromophenoxy)pentanehydrazide

• ChemBase ID: 34808
• Molecular Formular: C11H15BrN2O2
• Molecular Mass: 287.153
• Monoisotopic Mass: 286.03168973
• SMILES: C(=O)(C(Oc1ccc(Br)cc1)CCC)NN
• Canonical SMILES: CCCC(C(=O)NN)Oc1ccc(cc1)Br
• InChI: InChI=1S/C11H15BrN2O2/c1-2-3-10(11(15)14-13)16-9-6-4-8(12)5-7-9/h4-7,10H,2-3,13H2,1H3,(H,14,15)
• InChIKey: OCXWFKWBMAXHQR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-bromophenoxy)pentanehydrazide
• IUPAC Traditional name: 2-(4-bromophenoxy)pentanehydrazide
• Synonyms: 2-(4-Bromophenoxy)pentanohydrazide

Database IDs

• MDL Number: MFCD01532248
• PubChem SID: 160998115
• PubChem CID: 2870521

CALCULATED PROPERTIES

• Polar Surface Area: 64.35 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true
• Acid pKa: 11.534004
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 2.4933507
• LogD (pH = 7.4): 2.494701
• Log P: 2.4947474
• Molar Refractivity: 66.1538 cm^3
• Polarizability: 25.672016 Å^3

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false