| CAS Number | 1260658-90-9 |
| Catalog Number | AG01B7O4(AGN-PC-0WBD8W) |
| Chemical Name | 5-(chloromethyl)-1-(propan-2-yl)-1H-pyrazole |
| IUPAC Name | 5-(chloromethyl)-1-propan-2-ylpyrazole |
| InChI | InChI=1S/C7H11ClN2/c1-6(2)10-7(5-8)3-4-9-10/h3-4,6H,5H2,1-2H3 |
| InChI Key | QEDPJNDEFANEPJ-UHFFFAOYSA-N |
| MDL Number | MFCD18262419 |
| Molecular Formula | C7H11ClN2 |
| Molecular Weight | 158.6286 |
| SMILES | CC(N1C(CCl)=CC=N1)C |
| Synonyms | 1260658-90-9,
5-(chloromethyl)-1-isopropyl-1H-pyrazole,
5-(chloromethyl)-1-(propan-2-yl)-1H-pyrazole,
MFCD18262419,
SBB073684,
ZINC72209565,
AKOS005169423,
MCULE-7446048732,
5-(chloromethyl)-1-(methylethyl)pyrazole,
|
| Complexity | 106 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 158.061g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 158.629g/mol |
| Monoisotopic Mass | 158.061g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 17.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number