2-[(2-bromoacetyl)oxy]ethyl 2-bromoacetate

• ChemBase ID: 293967
• Molecular Formular: C6H8Br2O4
• Molecular Mass: 303.93332
• Monoisotopic Mass: 301.87893274
• SMILES: O=C(OCCOC(=O)CBr)CBr
• Canonical SMILES: BrCC(=O)OCCOC(=O)CBr
• InChI: InChI=1S/C6H8Br2O4/c7-3-5(9)11-1-2-12-6(10)4-8/h1-4H2
• InChIKey: WGHAPLWNJPAJDE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(2-bromoacetyl)oxy]ethyl 2-bromoacetate
• IUPAC Traditional name: 2-[(2-bromoacetyl)oxy]ethyl 2-bromoacetate
• Synonyms: Ethane-1,2-diyl bis(2-bromoacetate)

Database IDs

• CAS Number: 3785-34-0
• MDL Number: MFCD00466788
• PubChem SID: 180679498
• PubChem CID: 19618

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.1192499
• LogD (pH = 7.4): 1.1192499
• Log P: 1.1192499
• Molar Refractivity: 48.33 cm^3
• Polarizability: 19.558008 Å^3
• Polar Surface Area: 52.6 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%