| CAS Number | 200562-22-7 |
| Catalog Number | AG00J0PE(AGN-PC-0A9YCK) |
| Chemical Name | 3-Chloro-1-methylpyrazin-2(1H)-one |
| IUPAC Name | 3-chloro-1-methylpyrazin-2-one |
| InChI | InChI=1S/C5H5ClN2O/c1-8-3-2-7-4(6)5(8)9/h2-3H,1H3 |
| InChI Key | DKRZOECINQAWFK-UHFFFAOYSA-N |
| MDL Number | MFCD20501894 |
| Molecular Formula | C5H5ClN2O |
| Molecular Weight | 144.5590 |
| SMILES | ClC=1C(N(C=CN1)C)=O |
| Synonyms | 3-chloro-1-methylpyrazin-2(1H)-one,
200562-22-7,
3-chloro-1-methyl-1,2-dihydropyrazin-2-one,
SCHEMBL12143828,
ZINC71790921,
AKOS026676582,
BS-3625,
NE59712,
KS-000023I2,
EN300-66276,
F1905-0609,
|
| Complexity | 197 |
| 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 | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 144.558g/mol |
| Monoisotopic Mass | 144.009g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 32.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number