| CAS Number | 1374115-59-9 |
| Catalog Number | AG001398(AGN-PC-0WB2IT) |
| Chemical Name | Pyrazine, 2-chloro-3-ethynyl- |
| IUPAC Name | 2-chloro-3-ethynylpyrazine |
| InChI | InChI=1S/C6H3ClN2/c1-2-5-6(7)9-4-3-8-5/h1,3-4H |
| InChI Key | JUAUUZGANIEVSA-UHFFFAOYSA-N |
| MDL Number | MFCD19689588 |
| Molecular Formula | C6H3ClN2 |
| Molecular Weight | 138.5544 |
| SMILES | C#CC1=NC=CN=C1Cl |
| Synonyms | 2-chloro-3-ethynylpyrazine,
1374115-59-9,
Pyrazine, 2-chloro-3-ethynyl-,
KS-00002AEV,
(3-Chloropyrazin-2-yl)acetylene,
2-Chloro-3-ethynyl-1,4-diazine,
MFCD19689588,
ZINC72265849,
AKOS022177825,
PS-5393,
AJ-120855,
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| Complexity | 137 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 137.998g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 138.554g/mol |
| Monoisotopic Mass | 137.998g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 25.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
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Certificate of Analysis
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