| CAS Number | 91486-38-3 |
| Catalog Number | AG01C1EL(AGN-PC-00M1SY) |
| Chemical Name | 4-(2-Chlorophenyl)-1-methyl-1H-pyrazole |
| IUPAC Name | 4-(2-chlorophenyl)-1-methylpyrazole |
| InChI | InChI=1S/C10H9ClN2/c1-13-7-8(6-12-13)9-4-2-3-5-10(9)11/h2-7H,1H3 |
| InChI Key | QRQLODVURWDTTB-UHFFFAOYSA-N |
| MDL Number | MFCD19314568 |
| Molecular Formula | C10H9ClN2 |
| Molecular Weight | 192.6449 |
| SMILES | CN1N=CC(C2=C(Cl)C=CC=C2)=C1 |
| Synonyms | 4-(2-chlorophenyl)-1-methyl-1H-pyrazole,
91486-38-3,
SCHEMBL9388340,
ZINC49806970,
AKOS017514308,
Z1251359841,
|
| Complexity | 174 |
| 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 | 1 |
| Topological Polar Surface Area | 17.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
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Certificate of Analysis
Lot Number