| CAS Number | 1784137-82-1 |
| Catalog Number | AG01BE2N(AGN-PC-0WOUUP) |
| Chemical Name | 5-bromo-4-methoxy-1-methyl-1H-pyrazole |
| IUPAC Name | 5-bromo-4-methoxy-1-methylpyrazole |
| InChI | InChI=1S/C5H7BrN2O/c1-8-5(6)4(9-2)3-7-8/h3H,1-2H3 |
| InChI Key | NJZVAMRAUGUSDR-UHFFFAOYSA-N |
| MDL Number | MFCD28063766 |
| Molecular Formula | C5H7BrN2O |
| Molecular Weight | 191.0259 |
| SMILES | COC1=C(Br)N(C)N=C1 |
| Synonyms | 5-bromo-4-methoxy-1-methyl-1H-pyrazole,
1784137-82-1,
ZINC98095532,
AKOS023838871,
|
| Complexity | 101 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 189.974g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 191.028g/mol |
| Monoisotopic Mass | 189.974g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 27A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number