2,5-dibromohexanedioyl dichloride

• ChemBase ID: 284713
• Molecular Formular: C6H6Br2Cl2O2
• Molecular Mass: 340.82464
• Monoisotopic Mass: 337.81115879
• SMILES: C(=O)(C(CCC(C(=O)Cl)Br)Br)Cl
• Canonical SMILES: BrC(C(=O)Cl)CCC(C(=O)Cl)Br
• InChI: InChI=1S/C6H6Br2Cl2O2/c7-3(5(9)11)1-2-4(8)6(10)12/h3-4H,1-2H2
• InChIKey: UMIRTQXSYVCPKO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,5-dibromohexanedioyl dichloride
• IUPAC Traditional name: 2,5-dibromohexanedioyl dichloride
• Synonyms: 2,5-dibromohexanedioyl dichloride

Database IDs

• MDL Number: MFCD17015469
• PubChem SID: 180670244
• PubChem CID: 13129680

CALCULATED PROPERTIES

• Acid pKa: 17.951563
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.895356
• LogD (pH = 7.4): 2.895356
• Log P: 2.895356
• Molar Refractivity: 55.5094 cm^3
• Polarizability: 21.951687 Å^3
• Polar Surface Area: 34.14 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.132

Product Information

• Purity: 95%