| CAS Number | 1263210-45-2 |
| Catalog Number | AG019YI9(AGN-PC-0WOB05) |
| Chemical Name | 4-Bromo-1-(methoxymethyl)-3,5-dimethyl-1H-pyrazole |
| IUPAC Name | 4-bromo-1-(methoxymethyl)-3,5-dimethylpyrazole |
| InChI | InChI=1S/C7H11BrN2O/c1-5-7(8)6(2)10(9-5)4-11-3/h4H2,1-3H3 |
| InChI Key | FXMSLQOICASEAD-UHFFFAOYSA-N |
| MDL Number | MFCD18324055 |
| Molecular Formula | C7H11BrN2O |
| Molecular Weight | 219.0790 |
| SMILES | n1c(c(c(n1COC)C)Br)C |
| Synonyms | 4-bromo-1-(methoxymethyl)-3,5-dimethyl-1H-pyrazole,
1263210-45-2,
ZINC62701670,
AKOS014699937,
NE19629,
|
| Complexity | 134 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 218.005g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 219.082g/mol |
| Monoisotopic Mass | 218.005g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 27A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
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Certificate of Analysis
Lot Number