| CAS Number | 1807521-01-2 |
| Catalog Number | AG00I07X(AGN-PC-0WR1X4) |
| Chemical Name | 2-(T-Butoxycarbonylamido)-1,3-bis (pfp-oxycarbonylethoxy)propane |
| IUPAC Name | (2,3,4,5,6-pentafluorophenyl) 3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[3-oxo-3-(2,3,4,5,6-pentafluorophenoxy)propoxy]propoxy]propanoate |
| InChI | InChI=1S/C26H23F10NO8/c1-26(2,3)45-25(40)37-10(8-41-6-4-11(38)43-23-19(33)15(29)13(27)16(30)20(23)34)9-42-7-5-12(39)44-24-21(35)17(31)14(28)18(32)22(24)36/h10H,4-9H2,1-3H3,(H,37,40) |
| InChI Key | IBFNCENUPUCYOT-UHFFFAOYSA-N |
| MDL Number | MFCD28385477 |
| Molecular Formula | C26H23F10NO8 |
| Molecular Weight | 667.4468 |
| SMILES | O=C(OC(C)(C)C)NC(COCCC(=O)Oc1c(F)c(F)c(c(c1F)F)F)COCCC(=O)Oc1c(F)c(F)c(c(c1F)F)F |
| Synonyms | 2-(t-Butoxycarbonylamido)-1,3-bis (PFP-oxycarbonylethoxy)propane,
1807521-01-2,
BP-22591,
2-(t-Butoxycarbonylamido)-1,3-bis(PFP-oxycarbonylethoxy)propane,
|
| Complexity | 889 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 667.126g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 45 |
| Hydrogen Bond Acceptor Count | 18 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 667.453g/mol |
| Monoisotopic Mass | 667.126g/mol |
| Rotatable Bond Count | 17 |
| Topological Polar Surface Area | 109A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number