| CAS Number | 99578-85-5 |
| Catalog Number | AG01FAT2(AGN-PC-0NKYPQ) |
| Chemical Name | Diethyl 2-(trifluoromethyl)benzylphosphonate |
| IUPAC Name | 1-(diethoxyphosphorylmethyl)-2-(trifluoromethyl)benzene |
| InChI | InChI=1S/C12H16F3O3P/c1-3-17-19(16,18-4-2)9-10-7-5-6-8-11(10)12(13,14)15/h5-8H,3-4,9H2,1-2H3 |
| InChI Key | FZKWHEREYLVQKG-UHFFFAOYSA-N |
| MDL Number | MFCD31417463 |
| Molecular Formula | C12H16F3O3P |
| Molecular Weight | 296.2226 |
| SMILES | CCOP(=O)(Cc1ccccc1C(F)(F)F)OCC |
| Synonyms | Diethyl 2-(trifluoromethyl)benzylphosphonate,
99578-85-5,
SCHEMBL3727105,
FZKWHEREYLVQKG-UHFFFAOYSA-N,
Diethyl 2-trifluoromethylbenzylphosphonate,
(2-Trifluoromethyl-benzyl)-phosphonic acid diethyl ester,
|
| Complexity | 310 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 296.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 296.226g/mol |
| Monoisotopic Mass | 296.079g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 35.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number