| CAS Number | 63909-57-9 |
| Catalog Number | AG01FEIU(AGN-PC-006JB5) |
| Chemical Name | Diethyl 3-fluorobenzylphosphonate |
| IUPAC Name | 1-(diethoxyphosphorylmethyl)-3-fluorobenzene |
| InChI | InChI=1S/C11H16FO3P/c1-3-14-16(13,15-4-2)9-10-6-5-7-11(12)8-10/h5-8H,3-4,9H2,1-2H3 |
| InChI Key | JYFYRNCOOXHPGY-UHFFFAOYSA-N |
| MDL Number | MFCD20131020 |
| Molecular Formula | C11H16FO3P |
| Molecular Weight | 246.2151 |
| SMILES | CCOP(=O)(Cc1cccc(c1)F)OCC |
| Synonyms | Diethyl 3-fluorobenzylphosphonate,
63909-57-9,
SCHEMBL4542812,
JYFYRNCOOXHPGY-UHFFFAOYSA-N,
diethyl (3-fluorobenzyl)phosphonate,
ZINC71781371,
A1-06332,
Phosphonic acid, P-[(3-fluorophenyl)methyl]-, diethyl ester,
CID11311157,
1-(diethoxyphosphorylmethyl)-3-fluoro-benzene,
|
| Complexity | 237 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 246.082g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 246.218g/mol |
| Monoisotopic Mass | 246.082g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 35.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number