| CAS Number | 732295-61-3 |
| Catalog Number | AG01E86G(AGN-PC-00782E) |
| Chemical Name | 4-bromo-5-methyl-1,2,3,6-tetrahydropyridazine-3,6-dione |
| IUPAC Name | 4-bromo-5-methyl-1,2-dihydropyridazine-3,6-dione |
| InChI | InChI=1S/C5H5BrN2O2/c1-2-3(6)5(10)8-7-4(2)9/h1H3,(H,7,9)(H,8,10) |
| InChI Key | ZIDQZSSEZGQVMQ-UHFFFAOYSA-N |
| MDL Number | MFCD26407625 |
| Molecular Formula | C5H5BrN2O2 |
| Molecular Weight | 205.0094 |
| SMILES | BrC=1C(NNC(C1C)=O)=O |
| Synonyms | 732295-61-3,
4-bromo-5-methyl-1,2-dihydropyridazine-3,6-dione,
4-bromo-5-methyl-1,2,3,6-tetrahydropyridazine-3,6-dione,
5-bromo-4-methyl-3,6-(1H,2H)-pyridazinedione,
SCHEMBL1695990,
SCHEMBL17201500,
ZIDQZSSEZGQVMQ-UHFFFAOYSA-N,
ZINC95829572,
4-bromo-5-methylpyridazine-3,6-diol,
AKOS026728455,
NE56409,
CID11344746,
|
| Complexity | 234 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 203.953g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 205.011g/mol |
| Monoisotopic Mass | 203.953g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 58.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number