| CAS Number | 1147011-26-4 |
| Catalog Number | AG00HCWB(AGN-PC-0WQX1Q) |
| Chemical Name | 4-Bromo-3-methoxy-1H-pyrazole |
| IUPAC Name | 4-bromo-5-methoxy-1H-pyrazole |
| InChI | InChI=1S/C4H5BrN2O/c1-8-4-3(5)2-6-7-4/h2H,1H3,(H,6,7) |
| InChI Key | PUFHRMDRFZPMHL-UHFFFAOYSA-N |
| MDL Number | MFCD27665103 |
| Molecular Formula | C4H5BrN2O |
| Molecular Weight | 176.9993 |
| SMILES | BrC=1C(=NNC1)OC |
| Synonyms | 4-bromo-3-methoxy-1h-pyrazole,
1147011-26-4,
SCHEMBL2386036,
4-bromo-5-methoxy-1H-pyrazole,
ZINC82398566,
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| Complexity | 80.4 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 175.959g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 177.001g/mol |
| Monoisotopic Mass | 175.959g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 37.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
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Certificate of Analysis
Lot Number