| CAS Number | 2007908-60-1 |
| Catalog Number | AG01EHXT |
| Chemical Name | Ethyl 3-Amino-4,6-Dichloropicolinate |
| IUPAC Name | ethyl 3-amino-4,6-dichloropyridine-2-carboxylate |
| InChI | InChI=1S/C8H8Cl2N2O2/c1-2-14-8(13)7-6(11)4(9)3-5(10)12-7/h3H,2,11H2,1H3 |
| InChI Key | JJXQPLVVNNPVSZ-UHFFFAOYSA-N |
| MDL Number | MFCD29761127 |
| Molecular Formula | C8H8Cl2N2O2 |
| Molecular Weight | 235.0673 |
| SMILES | NC=1C(=NC(=CC1Cl)Cl)C(=O)OCC |
| Synonyms | Ethyl 3-amino-4,6-dichloropicolinate,
2007908-60-1,
ZINC299889436,
DS-19975,
AX8265456,
|
| Complexity | 216 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 233.996g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 235.064g/mol |
| Monoisotopic Mass | 233.996g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 65.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
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Certificate of Analysis
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