| CAS Number | 1148026-98-5 |
| Catalog Number | AG00HCWZ(AGN-PC-0WR0HV) |
| Chemical Name | Bromo-peg3-ethyl phosphonate |
| IUPAC Name | 1-[2-(2-bromoethoxy)ethoxy]-2-(2-diethoxyphosphorylethoxy)ethane |
| InChI | InChI=1S/C12H26BrO6P/c1-3-18-20(14,19-4-2)12-11-17-10-9-16-8-7-15-6-5-13/h3-12H2,1-2H3 |
| InChI Key | WDIGPIACFQMAGX-UHFFFAOYSA-N |
| MDL Number | MFCD11982880 |
| Molecular Formula | C12H26BrO6P |
| Molecular Weight | 377.2090 |
| SMILES | BrCCOCCOCCOCCP(=O)(OCC)OCC |
| Synonyms | Bromo-PEG3-ethyl phosphonate,
1148026-98-5,
Bromo-PEG3-phosphonic acid ethyl ester,
BIPG1345,
MFCD11982880,
ZINC44960049,
BP-21703,
Diethyl-(2-{2-[2-(2-bromo-ethoxy)-ethoxy]-ethoxy}-ethyl)phosphonate,
diethyl-(2-[2-[2-(2-bromo-ethoxy)ethoxy]ethoxy]ethyl)phosphonate,
|
| Complexity | 244 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 376.065g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 377.212g/mol |
| Monoisotopic Mass | 376.065g/mol |
| Rotatable Bond Count | 15 |
| Topological Polar Surface Area | 63.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number