| CAS Number | 2055042-83-4 |
| Catalog Number | AG019E4L |
| Chemical Name | Propargyl-PEG9-bromide |
| IUPAC Name | 3-[2-[2-[2-[2-[2-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]prop-1-yne |
| InChI | InChI=1S/C21H39BrO9/c1-2-4-23-6-8-25-10-12-27-14-16-29-18-20-31-21-19-30-17-15-28-13-11-26-9-7-24-5-3-22/h1H,3-21H2 |
| InChI Key | LYYKZUOYGAXPAG-UHFFFAOYSA-N |
| MDL Number | MFCD29079385 |
| Molecular Formula | C21H39BrO9 |
| Molecular Weight | 515.4330 |
| SMILES | C#CCOCCOCCOCCOCCOCCOCCOCCOCCOCCBr |
| Synonyms | Propargyl-PEG9-bromide,
2055042-83-4,
BP-23120,
|
| Complexity | 379 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 514.178g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 31 |
| Hydrogen Bond Acceptor Count | 9 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 515.438g/mol |
| Monoisotopic Mass | 514.178g/mol |
| Rotatable Bond Count | 27 |
| Topological Polar Surface Area | 83.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number