| CAS Number | 150718-29-9 |
| Catalog Number | AG01DF4H(AGN-PC-0234G1) |
| Chemical Name | 5-Chloro-3-oxo-3,4-dihydropyrazine-2-carboxylic acid |
| IUPAC Name | 6-chloro-2-oxo-1H-pyrazine-3-carboxylic acid |
| InChI | InChI=1S/C5H3ClN2O3/c6-2-1-7-3(5(10)11)4(9)8-2/h1H,(H,8,9)(H,10,11) |
| InChI Key | AVFMENMETODLQX-UHFFFAOYSA-N |
| MDL Number | MFCD15144424 |
| Molecular Formula | C5H3ClN2O3 |
| Molecular Weight | 174.5419 |
| SMILES | OC(=O)c1ncc([nH]c1=O)Cl |
| Synonyms | 150718-29-9,
5-Chloro-3-hydroxypyrazine-2-carboxylic acid,
3-Hydroxy-5-chloropyrazine-2-carboxylic acid,
5-Chloro-3-oxo-3,4-dihydropyrazine-2-carboxylic acid,
5-chloro-3,4-dihydro-3-oxo-2-Pyrazinecarboxylic acid,
SCHEMBL7537196,
MFCD15144424,
AKOS027461028,
CS-0059881,
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| Complexity | 282 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 173.983g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 174.54g/mol |
| Monoisotopic Mass | 173.983g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 78.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
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Certificate of Analysis
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