| CAS Number | 872366-13-7 |
| Catalog Number | AG01EK37(AGN-PC-09Z0TF) |
| Chemical Name | 4-(2-Methylphenyl)-1H-pyrazole |
| IUPAC Name | 4-(2-methylphenyl)-1H-pyrazole |
| InChI | InChI=1S/C10H10N2/c1-8-4-2-3-5-10(8)9-6-11-12-7-9/h2-7H,1H3,(H,11,12) |
| InChI Key | LKJMBOUHXORDCE-UHFFFAOYSA-N |
| MDL Number | MFCD12756548 |
| Molecular Formula | C10H10N2 |
| Molecular Weight | 158.1998 |
| SMILES | CC1=CC=CC=C1C2=CNN=C2 |
| Synonyms | 4-(2-methylphenyl)-1H-pyrazole,
872366-13-7,
SCHEMBL105445,
ZINC49804651,
AKOS017515254,
4-o-tolyl-1h-pyrazole,
|
| Complexity | 147 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 158.084g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 158.204g/mol |
| Monoisotopic Mass | 158.084g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 28.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number