| CAS Number | 1287752-82-2 |
| Catalog Number | AG00HRUP(AGN-PC-0WB5UZ) |
| Chemical Name | 4-bromo-3-methyl-1H-pyrazole-5-carbaldehyde |
| IUPAC Name | 4-bromo-5-methyl-1H-pyrazole-3-carbaldehyde |
| InChI | InChI=1S/C5H5BrN2O/c1-3-5(6)4(2-9)8-7-3/h2H,1H3,(H,7,8) |
| InChI Key | YZABISIVKAMWCV-UHFFFAOYSA-N |
| MDL Number | MFCD16556140 |
| Molecular Formula | C5H5BrN2O |
| Molecular Weight | 189.0100 |
| SMILES | C1(C=O)NN=C(C)C=1Br |
| Synonyms | 1287752-82-2,
4-BROMO-3-METHYL-1H-PYRAZOLE-5-CARBALDEHYDE,
4-Bromo-3-methyl-1H-pyrazol-5-carbaldehyde,
ALBB-014794,
ZX-AN013506,
ZX-CM009293,
FCH925223,
MFCD16556140,
ZINC49584961,
AKOS005174522,
MCULE-5774116667,
4-bromo-5-methyl-2H-pyrazole-3-carbaldehyde,
Y-8317,
1H-pyrazole-5-carboxaldehyde, 4-bromo-3-methyl-,
4040849-25G,
|
| Complexity | 120 |
| 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 | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 189.012g/mol |
| Monoisotopic Mass | 187.959g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 45.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number