| CAS Number | 1422344-01-1 |
| Catalog Number | AG019EXN(AGN-PC-0WG4QC) |
| Chemical Name | Ethyl 8-Chloro-[1,2,4]Triazolo[1,5-A]Pyrazine-2-Carboxylate |
| IUPAC Name | ethyl 8-chloro-[1,2,4]triazolo[1,5-a]pyrazine-2-carboxylate |
| InChI | InChI=1S/C8H7ClN4O2/c1-2-15-8(14)6-11-7-5(9)10-3-4-13(7)12-6/h3-4H,2H2,1H3 |
| InChI Key | UIOYEOFIQIJXLG-UHFFFAOYSA-N |
| MDL Number | MFCD23378326 |
| Molecular Formula | C8H7ClN4O2 |
| Molecular Weight | 226.6198 |
| SMILES | CCOC(=O)c1nc2c(Cl)nccn2n1 |
| Synonyms | Ethyl 8-chloro-[1,2,4]triazolo[1,5-a]pyrazine-2-carboxylate,
1422344-01-1,
MFCD23378326,
ZINC95698590,
CS-0037983,
Ethyl 8-Chloro-[1,2,4]Triazolo[1,5-A]Pyrazine-2-Carboxylate(WX130144),
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| Complexity | 253 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 226.026g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 226.62g/mol |
| Monoisotopic Mass | 226.026g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 69.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
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Certificate of Analysis
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