| CAS Number | 1142192-21-9 |
| Catalog Number | AG00HCS6(AGN-PC-0WBQTZ) |
| Chemical Name | Methyl 3-(6-chloro-5-pivalamidopyridin-2-yl)-acrylate |
| IUPAC Name | methyl (E)-3-[6-chloro-5-(2,2-dimethylpropanoylamino)pyridin-2-yl]prop-2-enoate |
| InChI | InChI=1S/C14H17ClN2O3/c1-14(2,3)13(19)17-10-7-5-9(16-12(10)15)6-8-11(18)20-4/h5-8H,1-4H3,(H,17,19)/b8-6+ |
| InChI Key | JSSQVTYEWVSSBO-SOFGYWHQSA-N |
| MDL Number | MFCD11857739 |
| Molecular Formula | C14H17ClN2O3 |
| Molecular Weight | 296.7494 |
| SMILES | COC(=O)/C=C/c1ccc(c(n1)Cl)NC(=O)C(C)(C)C |
| Synonyms | METHYL 3-(6-CHLORO-5-PIVALAMIDOPYRIDIN-2-YL)-ACRYLATE,
1142192-21-9,
Methyl 3-(6-chloro-5-pivalamidopyridin-2-yl)acrylate,
C14H17ClN2O3,
AC1Q41KD,
9196AC,
MFCD11857739,
ZINC35270508,
AKOS015850055,
TR-057724,
K-1028,
Methyl 3-(6-chloro-5-pivalamidopyridin-2-yl)acrylate, AldrichCPR,
methyl (2E)-3-[6-chloro-5-(2,2-dimethylpropanamido)pyridin-2-yl]prop-2-enoate,
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| Complexity | 390 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 296.093g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 296.751g/mol |
| Monoisotopic Mass | 296.093g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 68.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number