| CAS Number | 1187017-25-9 |
| Catalog Number | AG01AJPL |
| Chemical Name | 3-bromo-1-methyl-1,2-dihydropyrazin-2-one |
| IUPAC Name | 3-bromo-1-methylpyrazin-2-one |
| InChI | InChI=1S/C5H5BrN2O/c1-8-3-2-7-4(6)5(8)9/h2-3H,1H3 |
| InChI Key | AUYAZFFUBLQLGL-UHFFFAOYSA-N |
| MDL Number | MFCD17250183 |
| Molecular Formula | C5H5BrN2O |
| Molecular Weight | 189.0100 |
| SMILES | O=C1C(Br)=NC=CN1C |
| Synonyms | 3-bromo-1-methylpyrazin-2(1H)-one,
1187017-25-9,
3-bromo-1-methyl-1,2-dihydropyrazin-2-one,
3-bromo-1-methylpyrazine-2(1H)-one,
SCHEMBL925870,
ZINC61752329,
AKOS012237855,
DA-14892,
FT-0715436,
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| Complexity | 197 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 187.959g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 189.012g/mol |
| Monoisotopic Mass | 187.959g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 32.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
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Certificate of Analysis
Lot Number