| CAS Number | 1621614-95-6 |
| Catalog Number | AG019EQT(AGN-PC-0WG45D) |
| Chemical Name | tert-butyl (E)-3-[6-(difluoromethoxy)pyridin-3-yl]prop-2-enoate |
| IUPAC Name | tert-butyl (E)-3-[6-(difluoromethoxy)pyridin-3-yl]prop-2-enoate |
| InChI | InChI=1S/C13H15F2NO3/c1-13(2,3)19-11(17)7-5-9-4-6-10(16-8-9)18-12(14)15/h4-8,12H,1-3H3/b7-5+ |
| InChI Key | KOVGKRYLVVJEJS-FNORWQNLSA-N |
| MDL Number | MFCD28991990 |
| Molecular Formula | C13H15F2NO3 |
| Molecular Weight | 271.2599 |
| SMILES | CC(C)(C)OC(=O)/C=C/C1=CN=C(C=C1)OC(F)F |
| Synonyms | (E)-tert-Butyl 3-(6-(difluoromethoxy)pyridin-3-yl)acrylate,
1621614-95-6,
tert-butyl (E)-3-[6-(difluoromethoxy)pyridin-3-yl]prop-2-enoate,
SCHEMBL15914297,
KOVGKRYLVVJEJS-FNORWQNLSA-N,
MFCD28991990,
ZINC224658365,
CS-0037105,
|
| Complexity | 326 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 271.102g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 271.264g/mol |
| Monoisotopic Mass | 271.102g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 48.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
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Certificate of Analysis
Lot Number