| CAS Number | 83959-39-1 |
| Catalog Number | AG019XRT(AGN-PC-0WO7K0) |
| Chemical Name | 3-(chloromethyl)-1-phenyl-1H-pyrazole |
| IUPAC Name | 3-(chloromethyl)-1-phenylpyrazole |
| InChI | InChI=1S/C10H9ClN2/c11-8-9-6-7-13(12-9)10-4-2-1-3-5-10/h1-7H,8H2 |
| InChI Key | VGIYEGYNFYXGDX-UHFFFAOYSA-N |
| MDL Number | MFCD14705594 |
| Molecular Formula | C10H9ClN2 |
| Molecular Weight | 192.6449 |
| SMILES | ClCC1=NN(C2=CC=CC=C2)C=C1 |
| Synonyms | 3-(chloromethyl)-1-phenyl-1H-pyrazole,
83959-39-1,
AC1Q3U5D,
CTK6H6663,
ZINC39947443,
AKOS010941723,
NE25851,
EN300-55891,
|
| Complexity | 157 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 192.045g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 192.646g/mol |
| Monoisotopic Mass | 192.045g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 17.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number