| CAS Number | 1393728-48-7 |
| Catalog Number | AG00J2QJ(AGN-PC-0WB63Q) |
| Chemical Name | 4-Bromo-5-ethyl-1-methyl-1H-pyrazole |
| IUPAC Name | 4-bromo-5-ethyl-1-methylpyrazole |
| InChI | InChI=1S/C6H9BrN2/c1-3-6-5(7)4-8-9(6)2/h4H,3H2,1-2H3 |
| InChI Key | SYBHEVBKMQGBJG-UHFFFAOYSA-N |
| MDL Number | MFCD22548406 |
| Molecular Formula | C6H9BrN2 |
| Molecular Weight | 189.0531 |
| SMILES | BrC=1C=NN(C1CC)C |
| Synonyms | 4-bromo-5-ethyl-1-methyl-1H-pyrazole,
1393728-48-7,
SCHEMBL13714026,
ZX-CM010417,
MFCD22548406,
ZINC76819551,
AKOS023431693,
FCH2279809,
Y-8505,
4-Bromo-5-ethyl-1-methyl-1H-pyrazole, AldrichCPR,
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| Complexity | 97.1 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 187.995g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 189.056g/mol |
| Monoisotopic Mass | 187.995g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 17.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number