Basic information
- CAS
127923-98-2- Standard SMILES
O=C(OCCBr)C(O)C(O)C(=O)OCCBr- InChIKey
UNWKEBUTIBAMND-UHFFFAOYSA-N- Molecular formula
- C8H12Br2O6
- Average molar mass
- 363.98 g/mol
- Monoisotopic mass
- 361.90006
Names & identifiers
- Preferred name
- Bis(2-bromoethyl) 2,3-dihydroxybutanedioate
- IUPAC
- bis(2-bromoethyl) 2,3-dihydroxybutanedioate
Names & synonyms
bis(2-bromoethyl) 2,3-dihydroxybutanedioateDTXSID10926025
Database identifiers
- CAS
127923-98-2- PubChem CID
- 154288
- DTXSID
DTXSID10926025
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 93.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 211
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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