| CAS Number | 154396-09-5 |
| Catalog Number | AG01C99N |
| Chemical Name | 1-(3-chlorophenyl)-4-methyl-1H-pyrazole |
| IUPAC Name | 1-(3-chlorophenyl)-4-methylpyrazole |
| InChI | InChI=1S/C10H9ClN2/c1-8-6-12-13(7-8)10-4-2-3-9(11)5-10/h2-7H,1H3 |
| InChI Key | NGSXKQICBZZDPW-UHFFFAOYSA-N |
| MDL Number | MFCD12763832 |
| Molecular Formula | C10H9ClN2 |
| Molecular Weight | 192.6449 |
| SMILES | CC1=CN(C2=CC(Cl)=CC=C2)N=C1 |
| Synonyms | 1-(3-chlorophenyl)-4-methyl-1H-pyrazole,
154396-09-5,
SCHEMBL9134471,
ZINC37676752,
AKOS010092483,
|
| 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 | 2.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number