| CAS Number | 451455-95-1 |
| Catalog Number | AG01FD97(AGN-PC-009ZT5) |
| Chemical Name | Diethyl 3,4-difluorobenzylphosphonate |
| IUPAC Name | 4-(diethoxyphosphorylmethyl)-1,2-difluorobenzene |
| InChI | InChI=1S/C11H15F2O3P/c1-3-15-17(14,16-4-2)8-9-5-6-10(12)11(13)7-9/h5-7H,3-4,8H2,1-2H3 |
| InChI Key | VYGFPQWSAJPWSN-UHFFFAOYSA-N |
| MDL Number | MFCD30834499 |
| Molecular Formula | C11H15F2O3P |
| Molecular Weight | 264.2056 |
| SMILES | CCOP(=O)(Cc1ccc(c(c1)F)F)OCC |
| Synonyms | Diethyl 3,4-difluorobenzylphosphonate,
451455-95-1,
SCHEMBL16825119,
ZINC34584772,
CID11482447,
4-(diethoxyphosphorylmethyl)-1,2-difluoro-benzene,
|
| 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 |
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Certificate of Analysis
Lot Number