Basic information
- CAS
174678-80-9- Standard SMILES
CCOP(=O)(OCC)C(F)(F)c1ccc(CBr)cc1- InChIKey
FOVYBNXOSRNQOI-UHFFFAOYSA-N- Molecular formula
- C12H16BrF2O3P
- Average molar mass
- 357.13 g/mol
- Monoisotopic mass
- 355.99885
Names & identifiers
- Preferred name
- [(4-Bromomethyl-phenyl)-difluoro-methyl]-phosphonic acid diethyl ester
- IUPAC
- 1-(bromomethyl)-4-[diethoxyphosphoryl(difluoro)methyl]benzene
Names & synonyms
174678-80-9[(4-bromomethyl-phenyl)-difluoro-methyl]-phosphonic acid diethyl esterSCHEMBL5162409DTXSID00443579Diethyl {[4-(bromomethyl)phenyl]di(fluoro)methyl}phosphonate
Database identifiers
- CAS
174678-80-9- PubChem CID
- 10689656
- DTXSID
DTXSID00443579
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 310
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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