Malic acid, bis(2-bromoethyl) ester
Basic information
- CAS
127923-99-3- Standard SMILES
O=C(CC(O)C(=O)OCCBr)OCCBr- InChIKey
ZPCPZRDSRSSVOZ-UHFFFAOYSA-N- Molecular formula
- C8H12Br2O5
- Average molar mass
- 347.99 g/mol
- Monoisotopic mass
- 345.90515
Names & identifiers
- Preferred name
- Malic acid, bis(2-bromoethyl) ester
- IUPAC
- bis(2-bromoethyl) 2-hydroxybutanedioate
Names & synonyms
Malic acid, bis(2-bromoethyl) ester127923-99-3CCRIS 3866bis(2-bromoethyl) 2-hydroxybutanedioateMalic acid, bis(2-bromoethyl)esterBE922NU8B2DTXSID709260261,4-BIS(2-BROMOETHYL) 2-HYDROXYBUTANEDIOATEButanedioic acid, 2-hydroxy-, 1,4-bis(2-bromoethyl) ester
Database identifiers
- CAS
127923-99-3- PubChem CID
- 154289
- DTXSID
DTXSID70926026- UNII
- BE922NU8B2
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 72.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 209
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Compound notes
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