| CAS Number | 1178197-57-3 |
| Catalog Number | AG01BFJL(AGN-PC-0WOWCE) |
| Chemical Name | 4-(4-Chloro-1H-pyrazol-1-yl)-3-fluorobenzonitrile |
| IUPAC Name | 4-(4-chloropyrazol-1-yl)-3-fluorobenzonitrile |
| InChI | InChI=1S/C10H5ClFN3/c11-8-5-14-15(6-8)10-2-1-7(4-13)3-9(10)12/h1-3,5-6H |
| InChI Key | UKNQAXQLDIQGCX-UHFFFAOYSA-N |
| MDL Number | MFCD12779064 |
| Molecular Formula | C10H5ClFN3 |
| Molecular Weight | 221.6182 |
| SMILES | FC1=C(N2N=CC(Cl)=C2)C=CC(C#N)=C1 |
| Synonyms | 4-(4-chloro-1H-pyrazol-1-yl)-3-fluorobenzonitrile,
1178197-57-3,
ZINC38053460,
AKOS010264634,
NE36437,
EN300-187301,
Z1889997427,
|
| Complexity | 277 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 221.016g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 221.619g/mol |
| Monoisotopic Mass | 221.016g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 41.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number