| CAS Number | 1000519-96-9 |
| Catalog Number | AG01EHCM |
| Chemical Name | (2E)-3-(2,6-Dichloropyridin-3-yl)prop-2-enamide |
| IUPAC Name | 3-(2,6-dichloropyridin-3-yl)prop-2-enamide |
| InChI | InChI=1S/C8H6Cl2N2O/c9-6-3-1-5(8(10)12-6)2-4-7(11)13/h1-4H,(H2,11,13) |
| InChI Key | IUANTXONUKBMJJ-UHFFFAOYSA-N |
| MDL Number | MFCD09911658 |
| Molecular Formula | C8H6Cl2N2O |
| Molecular Weight | 217.0520 |
| SMILES | NC(=O)/C=C/c1ccc(nc1Cl)Cl |
| Synonyms | (2E)-3-(2,6-DIchloropyridin-3-yl)prop-2-enamide,
1000519-96-9,
|
| Complexity | 220 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 215.986g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 217.049g/mol |
| Monoisotopic Mass | 215.986g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 56A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 2.1 |
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Certificate of Analysis
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