Basic information
- CAS
89125-43-9- Standard SMILES
COP(=O)(OC)C(O)C(Br)(Br)Br- InChIKey
XDEUQGWSPGVPSM-UHFFFAOYSA-N- Molecular formula
- C4H8Br3O4P
- Average molar mass
- 390.79 g/mol
- Monoisotopic mass
- 387.77103
Names & identifiers
- Preferred name
- Dimethyl (2,2,2-tribromo-1-hydroxyethyl)phosphonate
- IUPAC
- 2,2,2-tribromo-1-dimethoxyphosphorylethanol
Names & synonyms
89125-43-9NSC14021dimethyl (2,2,2-tribromo-1-hydroxyethyl)phosphonateDTXSID50279749NSC-14021
Database identifiers
- CAS
89125-43-9- PubChem CID
- 224992
- DTXSID
DTXSID50279749
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 183
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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