bis(2,3-dibromopropyl) (E)-but-2-enedioate
Basic information
- CAS
3925-73-3- Standard SMILES
O=C(/C=C/C(=O)OCC(Br)CBr)OCC(Br)CBr- InChIKey
GOIMSYRODGQEDD-OWOJBTEDSA-N- Molecular formula
- C10H12Br4O4
- Average molar mass
- 515.82 g/mol
Names & identifiers
- Preferred name
- bis(2,3-dibromopropyl) (E)-but-2-enedioate
- IUPAC
- bis(2,3-dibromopropyl) (E)-but-2-enedioate
- English name
- 2-Butenedioic acid (2E)-, 1,4-bis(2,3-dibromopropyl) ester
- Molecular formula
- C10H12Br4O4
- Molecular weight
- 515.82
Names & synonyms
SCHEMBL28890482-Butenedioic acid (2E)-, 1,4-bis(2,3-dibromopropyl) ester
Database identifiers
- CAS
3925-73-3- Nikkaji
- J60.746K
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 10
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 268
Physicochemical properties
- Melting point
- 65 · 65-66 °C(Solv: cyclohexane (110-82-7))
- Boiling point
- 497.9 · 497.9±45.0 °C(Predicted)
- Density
- 2.082 · 2.082±0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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