Basic information
- CAS
89415-69-0- Standard SMILES
O=C(OCCBr)C(=O)OCCBr- InChIKey
GJKUEAJIJQTAKF-UHFFFAOYSA-N- Molecular formula
- C6H8Br2O4
- Average molar mass
- 303.93 g/mol
- Monoisotopic mass
- 301.87893
Names & identifiers
- Preferred name
- Oxalic acid, bis(2-bromoethyl) ester
- IUPAC
- bis(2-bromoethyl) oxalate
Names & synonyms
Oxalic acid, bis(2-bromoethyl) ester89415-69-0NSC-51580CCRIS 3863M6NB7YN4H3Bis(2-bromoethyl) ethanedioateSCHEMBL9569864DTXSID90237646NSC515801,2-Bis(2-bromoethyl) ethanedioateNSC 51580OXALIC ACID, BIS(2-BROMOETHYL)ESTER
Database identifiers
- CAS
89415-69-0- PubChem CID
- 150765
- DTXSID
DTXSID90237646- UNII
- M6NB7YN4H3
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 142
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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