| CAS Number | 118578-89-5 |
| Catalog Number | AG01F3EG(AGN-PC-0LCP6E) |
| Chemical Name | Diethyl [(4-tert-butylphenyl)methyl]phosphonate |
| IUPAC Name | 1-tert-butyl-4-(diethoxyphosphorylmethyl)benzene |
| InChI | InChI=1S/C15H25O3P/c1-6-17-19(16,18-7-2)12-13-8-10-14(11-9-13)15(3,4)5/h8-11H,6-7,12H2,1-5H3 |
| InChI Key | AZQVJBHHMWKYPG-UHFFFAOYSA-N |
| MDL Number | MFCD00961494 |
| Molecular Formula | C15H25O3P |
| Molecular Weight | 284.331 |
| SMILES | P(OCC)(OCC)(CC1=CC=C(C=C1)C(C)(C)C)=O |
| Synonyms | Diethyl 4-tert-butylbenzylphosphonate,
Diethyl [(4-tert-butylphenyl)methyl]phosphonate,
118578-89-5,
AC1NC1KG,
diethyl 4-t-butylbenzylphosphonate,
ZINC5334450,
4-tert-Butylbenzylphosphonic acid diethyl ester,
1-tert-butyl-4-(diethoxyphosphorylmethyl)benzene,
CID4526741,
1-(diethoxyphosphorylmethyl)-4-tert-butyl-benzene,
|
| Complexity | 291 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 284.154g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 284.336g/mol |
| Monoisotopic Mass | 284.154g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 35.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number