| CAS Number | 1368167-47-8 |
| Catalog Number | AG01BUXI |
| Chemical Name | 3-Bromo-1-methyl-1H-pyrazole-4-carbaldehyde |
| IUPAC Name | 3-bromo-1-methylpyrazole-4-carbaldehyde |
| InChI | InChI=1S/C5H5BrN2O/c1-8-2-4(3-9)5(6)7-8/h2-3H,1H3 |
| InChI Key | GYAGWKKUUUQICS-UHFFFAOYSA-N |
| MDL Number | MFCD22062890 |
| Molecular Formula | C5H5BrN2O |
| Molecular Weight | 189.0100 |
| SMILES | BrC1=NN(C=C1C=O)C |
| Synonyms | 3-Bromo-1-methyl-1H-pyrazole-4-carbaldehyde,
1368167-47-8,
MFCD22062890,
ZINC82391148,
AKOS022702462,
|
| 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 | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 189.012g/mol |
| Monoisotopic Mass | 187.959g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 34.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number