| CAS Number | 451455-94-0 |
| Catalog Number | AG01FD96(AGN-PC-3H49OJ) |
| Chemical Name | Diethyl 2,5-difluorobenzylphosphonate |
| IUPAC Name | 2-(diethoxyphosphorylmethyl)-1,4-difluorobenzene |
| InChI | InChI=1S/C11H15F2O3P/c1-3-15-17(14,16-4-2)8-9-7-10(12)5-6-11(9)13/h5-7H,3-4,8H2,1-2H3 |
| InChI Key | XOCUKRWGXXYSJL-UHFFFAOYSA-N |
| MDL Number | MFCD30834500 |
| Molecular Formula | C11H15F2O3P |
| Molecular Weight | 264.2056 |
| SMILES | CCOP(=O)(Cc1cc(F)ccc1F)OCC |
| Synonyms | diethyl 2,5-difluorobenzylphosphonate,
451455-94-0,
SCHEMBL4537393,
XOCUKRWGXXYSJL-UHFFFAOYSA-N,
|
| Complexity | 265 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 264.073g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 264.209g/mol |
| Monoisotopic Mass | 264.073g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 35.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number