| CAS Number | 1155139-10-8 |
| Catalog Number | AG01AHW5 |
| Chemical Name | 1,3-diethyl 2-(difluoromethanesulfonamido)propanedioate |
| IUPAC Name | diethyl 2-(difluoromethylsulfonylamino)propanedioate |
| InChI | InChI=1S/C8H13F2NO6S/c1-3-16-6(12)5(7(13)17-4-2)11-18(14,15)8(9)10/h5,8,11H,3-4H2,1-2H3 |
| InChI Key | CCZCVEXLVUEBOS-UHFFFAOYSA-N |
| MDL Number | MFCD12094355 |
| Molecular Formula | C8H13F2NO6S |
| Molecular Weight | 289.2537 |
| SMILES | CCOC(C(C(OCC)=O)NS(C(F)F)(=O)=O)=O |
| Synonyms | 1,3-diethyl 2-difluoromethanesulfonamidopropanedioate,
1155139-10-8,
ZINC36818290,
AKOS006033662,
MCULE-4551203145,
NE25964,
EN300-75975,
1,3-diethyl 2-(difluoromethane)sulfonamidopropanedioate,
1,3-diethyl 2-(difluoromethanesulfonamido)propanedioate,
Z1258948134,
|
| Complexity | 373 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 289.043g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 9 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 289.25g/mol |
| Monoisotopic Mass | 289.043g/mol |
| Rotatable Bond Count | 9 |
| Topological Polar Surface Area | 107A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
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Certificate of Analysis
Lot Number