| CAS Number | 1287752-78-6 |
| Catalog Number | AG00J27M(AGN-PC-0WB5I2) |
| Chemical Name | 4-bromo-3-(methoxymethyl)-5-methyl-1H-pyrazole |
| IUPAC Name | 4-bromo-3-(methoxymethyl)-5-methyl-1H-pyrazole |
| InChI | InChI=1S/C6H9BrN2O/c1-4-6(7)5(3-10-2)9-8-4/h3H2,1-2H3,(H,8,9) |
| InChI Key | UXQSDVYMXCEJHH-UHFFFAOYSA-N |
| MDL Number | MFCD13188608 |
| Molecular Formula | C6H9BrN2O |
| Molecular Weight | 205.0525 |
| SMILES | C1(Br)C(C)=NNC=1COC |
| Synonyms | 4-bromo-3-(methoxymethyl)-5-methyl-1H-pyrazole,
1287752-78-6,
4-BROMO-5-(METHOXYMETHYL)-3-METHYL-1H-PYRAZOLE,
SCHEMBL15229798,
ALBB-022375,
ZX-CM008499,
MFCD20502768,
ZINC42384095,
AKOS015997916,
AKOS027426342,
FCH1380975,
MCULE-3549172996,
T5129,
Y-8306,
1H-pyrazole, 4-bromo-3-(methoxymethyl)-5-methyl-,
|
| Complexity | 112 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 203.99g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 205.055g/mol |
| Monoisotopic Mass | 203.99g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 37.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number