| CAS Number | 60061-61-2 |
| Catalog Number | AG01DQLB(AGN-PC-03CJ7A) |
| Chemical Name | 4-bromo-5-propyl-1H-pyrazole |
| IUPAC Name | 4-bromo-5-propyl-1H-pyrazole |
| InChI | InChI=1S/C6H9BrN2/c1-2-3-6-5(7)4-8-9-6/h4H,2-3H2,1H3,(H,8,9) |
| InChI Key | UQFOOCAHEGPJMP-UHFFFAOYSA-N |
| MDL Number | MFCD26638671 |
| Molecular Formula | C6H9BrN2 |
| Molecular Weight | 189.0531 |
| SMILES | CCCC1=C(Br)C=NN1 |
| Synonyms | 4-bromo-5-propyl-1H-pyrazole,
60061-61-2,
SCHEMBL670970,
|
| Complexity | 87.1 |
| 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 | 2 |
| 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