| CAS Number | 146780-08-7 |
| Catalog Number | AG00AZG3(AGN-PC-0NGWV8) |
| Chemical Name | diethyl 3-trifluoromethylbenzylphosphonate |
| IUPAC Name | 1-(diethoxyphosphorylmethyl)-3-(trifluoromethyl)benzene |
| InChI | InChI=1S/C12H16F3O3P/c1-3-17-19(16,18-4-2)9-10-6-5-7-11(8-10)12(13,14)15/h5-8H,3-4,9H2,1-2H3 |
| InChI Key | JRANUXHJUGOHIM-UHFFFAOYSA-N |
| MDL Number | MFCD24386383 |
| Molecular Formula | C12H16F3O3P |
| Molecular Weight | 296.2226 |
| SMILES | FC(C=1C=C(CP(OCC)(OCC)=O)C=CC1)(F)F |
| Synonyms | diethyl 3-trifluoromethylbenzylphosphonate,
RWJ 26138,
RWJ-26138,
SCHEMBL1832383,
JRANUXHJUGOHIM-UHFFFAOYSA-N,
ZINC38316435,
Diethyl 3-trifluoromethylbenzylphosphonate,
Diethyl 3-(trifluoromethyl)benzylphosphonate,
O,O-diethyl 3-trifluoromethylbenzylphosphonate,
Diethyl 3-(trifluoromethyl)benzylphosphonate, 97%,
O,O-Diethyl 3-Trifluoromethylphenylmethylphosphonate,
3-(Trifluoromethyl)benzylphosphonic acid diethyl ester,
(3-trifluoromethyl-benzyl)-phosphonic acid diethyl ester,
{[3-(Trifluoromethyl)phenyl]methyl}phosphonic acid diethyl ester,
146780-08-7,
CID11162251,
1-(diethoxyphosphorylmethyl)-3-(trifluoromethyl)benzene,
|
| 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