| CAS Number | 89283-33-0 |
| Catalog Number | AG00IFM8(AGN-PC-0JJFR0) |
| Chemical Name | 2(1H)-Pyrazinone, 3-chloro-5-methyl- |
| IUPAC Name | 3-chloro-5-methyl-1H-pyrazin-2-one |
| InChI | InChI=1S/C5H5ClN2O/c1-3-2-7-5(9)4(6)8-3/h2H,1H3,(H,7,9) |
| InChI Key | FZRWZIJMAGHJBC-UHFFFAOYSA-N |
| MDL Number | MFCD15144362 |
| Molecular Formula | C5H5ClN2O |
| Molecular Weight | 144.5590 |
| SMILES | O=C1C(Cl)=NC(C)=CN1 |
| Synonyms | 3-Chloro-5-methylpyrazin-2(1H)-one,
89283-33-0,
AK137298,
KS-00000RPO,
DTXSID20856682,
MFCD15144362,
ZINC95829892,
AKOS022172244,
DS-5818,
FCH1159648,
AJ-134040,
AX8258866,
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| Complexity | 207 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 144.009g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 144.558g/mol |
| Monoisotopic Mass | 144.009g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 41.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
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Certificate of Analysis
Lot Number