| CAS Number | 873313-12-3 |
| Catalog Number | AG019S1B(AGN-PC-0VCDEZ) |
| Chemical Name | [3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]methanamine hydrochloride |
| IUPAC Name | [3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methanamine;hydrochloride |
| InChI | InChI=1S/C16H14FN3.ClH/c17-14-8-6-12(7-9-14)16-13(10-18)11-20(19-16)15-4-2-1-3-5-15;/h1-9,11H,10,18H2;1H |
| InChI Key | CDLKHQAPEOYIHT-UHFFFAOYSA-N |
| MDL Number | MFCD20441732 |
| Molecular Formula | C16H15ClFN3 |
| Molecular Weight | 303.7618 |
| SMILES | Cl.NCC1C(C2=CC=C(F)C=C2)=NN(C2=CC=CC=C2)C=1 |
| Synonyms | [3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]methanamine hydrochloride,
873313-12-3,
NE16618,
EN300-91411,
|
| Complexity | 298 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 303.094g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 303.765g/mol |
| Monoisotopic Mass | 303.094g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 43.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number