| CAS Number | 1205195-05-6 |
| Catalog Number | AG019U4T(AGN-PC-0WO8HE) |
| Chemical Name | 4-Bromo-3,5-dimethyl-1-propyl-1H-pyrazole |
| IUPAC Name | 4-bromo-3,5-dimethyl-1-propylpyrazole |
| InChI | InChI=1S/C8H13BrN2/c1-4-5-11-7(3)8(9)6(2)10-11/h4-5H2,1-3H3 |
| InChI Key | DFWDLCVJEAGMET-UHFFFAOYSA-N |
| MDL Number | MFCD16687034 |
| Molecular Formula | C8H13BrN2 |
| Molecular Weight | 217.1062 |
| SMILES | n1c(c(c(n1CCC)C)Br)C |
| Synonyms | 4-bromo-3,5-dimethyl-1-propyl-1H-pyrazole,
1205195-05-6,
ZINC41367399,
AKOS011410604,
MCULE-1616682408,
NE25666,
Z1341710103,
|
| Complexity | 129 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 216.026g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 217.11g/mol |
| Monoisotopic Mass | 216.026g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 17.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number