| CAS Number | 736073-76-0 |
| Catalog Number | AG00FLN2(AGN-PC-0WB5SI) |
| Chemical Name | 4-Bromo-3-ethyl-5-methyl-1H-pyrazole |
| IUPAC Name | 4-bromo-3-ethyl-5-methyl-1H-pyrazole |
| InChI | InChI=1S/C6H9BrN2/c1-3-5-6(7)4(2)8-9-5/h3H2,1-2H3,(H,8,9) |
| InChI Key | YBYVROBZHKIUCI-UHFFFAOYSA-N |
| MDL Number | MFCD17078878 |
| Molecular Formula | C6H9BrN2 |
| Molecular Weight | 189.0531 |
| SMILES | CCC1=NNC(=C1Br)C |
| Synonyms | 4-Bromo-3-ethyl-5-methyl-1H-pyrazole,
736073-76-0,
SCHEMBL15724288,
ALBB-014847,
ZX-AN013559,
ZX-CM009242,
8992AE,
MFCD17078878,
ZINC49584951,
AKOS005174635,
AKOS023431694,
FCH1012647,
1H-pyrazole, 4-bromo-3-ethyl-5-methyl-,
AJ-111205,
Y-7775,
4-bromo-3-ethyl-5-methyl-1H-pyrazole(SALTDATA,
C6H9BrN2,
4-bromo-3-ethyl-5-methyl-1H-pyrazole(SALTDATA: FREE),
|
| 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 | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 189.056g/mol |
| Monoisotopic Mass | 187.995g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 28.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number