| CAS Number | 1423029-19-9 |
| Catalog Number | AG01A33R(AGN-PC-0WO0I8) |
| Chemical Name | 4-(5-chloro-3-methyl-1H-pyrazol-1-yl)benzonitrile |
| IUPAC Name | 4-(5-chloro-3-methylpyrazol-1-yl)benzonitrile |
| InChI | InChI=1S/C11H8ClN3/c1-8-6-11(12)15(14-8)10-4-2-9(7-13)3-5-10/h2-6H,1H3 |
| InChI Key | TWJYQPGOHHDPKU-UHFFFAOYSA-N |
| MDL Number | MFCD21667611 |
| Molecular Formula | C11H8ClN3 |
| Molecular Weight | 217.6543 |
| SMILES | CC1=NN(C2=CC=C(C#N)C=C2)C(Cl)=C1 |
| Synonyms | 4-(5-chloro-3-methyl-1H-pyrazol-1-yl)benzonitrile,
1423029-19-9,
ZINC85018932,
AKOS015363194,
FCH5426484,
MCULE-3590439518,
NE31807,
BBV-41326229,
EN300-120064,
Z1699857073,
|
| Complexity | 264 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 217.041g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 217.656g/mol |
| Monoisotopic Mass | 217.041g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 41.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number