| CAS Number | 339020-20-1 |
| Catalog Number | AG00IYS0(AGN-PC-0WAW2V) |
| Chemical Name | Methyl 2-(3,4,4-trifluorobut-3-ene-1-sulfonyl)acetate |
| IUPAC Name | methyl 2-(3,4,4-trifluorobut-3-enylsulfonyl)acetate |
| InChI | InChI=1S/C7H9F3O4S/c1-14-6(11)4-15(12,13)3-2-5(8)7(9)10/h2-4H2,1H3 |
| InChI Key | LFCITJGUGBWWTG-UHFFFAOYSA-N |
| MDL Number | MFCD01443882 |
| Molecular Formula | C7H9F3O4S |
| Molecular Weight | 246.2042 |
| SMILES | O=C(OC)CS(=O)(CCC(F)=C(F)F)=O |
| Synonyms | 339020-20-1,
methyl 2-[(3,4,4-trifluoro-3-butenyl)sulfonyl]acetate,
methyl 2-(3,4,4-trifluorobut-3-ene-1-sulfonyl)acetate,
AC1MVTX1,
Methyl 2-(3,4,4-trifluorobut-3-enylsulfonyl)acetate,
KS-00001ZN3,
ZINC5526160,
AKOS005100291,
7N-758,
CID3713504,
|
| Complexity | 351 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 246.017g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 246.2g/mol |
| Monoisotopic Mass | 246.017g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 68.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number