| CAS Number | 1183211-70-2 |
| Catalog Number | AG01C3HJ |
| Chemical Name | 3-methyl-4-(1H-pyrazol-1-yl)benzonitrile |
| IUPAC Name | 3-methyl-4-pyrazol-1-ylbenzonitrile |
| InChI | InChI=1S/C11H9N3/c1-9-7-10(8-12)3-4-11(9)14-6-2-5-13-14/h2-7H,1H3 |
| InChI Key | JCEGANNNVQBIRO-UHFFFAOYSA-N |
| MDL Number | MFCD12766918 |
| Molecular Formula | C11H9N3 |
| Molecular Weight | 183.2093 |
| SMILES | CC1=C(N2N=CC=C2)C=CC(C#N)=C1 |
| Synonyms | 3-methyl-4-(1H-pyrazol-1-yl)benzonitrile,
1183211-70-2,
ZINC37732974,
AKOS010152503,
Z2327883919,
|
| Complexity | 242 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 183.08g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 183.214g/mol |
| Monoisotopic Mass | 183.08g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 41.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number