| CAS Number | 1864056-01-8 |
| Catalog Number | AG01AUP6 |
| Chemical Name | 3-(chloromethyl)-1-(2-phenylethyl)-1H-pyrazole |
| IUPAC Name | 3-(chloromethyl)-1-(2-phenylethyl)pyrazole |
| InChI | InChI=1S/C12H13ClN2/c13-10-12-7-9-15(14-12)8-6-11-4-2-1-3-5-11/h1-5,7,9H,6,8,10H2 |
| InChI Key | OPFONDVFAHVQLK-UHFFFAOYSA-N |
| MDL Number | MFCD29041160 |
| Molecular Formula | C12H13ClN2 |
| Molecular Weight | 220.698 |
| SMILES | ClCC1=NN(CCC2=CC=CC=C2)C=C1 |
| Synonyms | 3-(chloromethyl)-1-(2-phenylethyl)-1H-pyrazole,
1864056-01-8,
ZINC238854630,
|
| Complexity | 181 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 220.077g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 220.7g/mol |
| Monoisotopic Mass | 220.077g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 17.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number