| CAS Number | 1306605-68-4 |
| Catalog Number | AG01AIFE(AGN-PC-0WOCUL) |
| Chemical Name | 3-[4-(trifluoromethyl)-1H-pyrazol-1-yl]aniline |
| IUPAC Name | 3-[4-(trifluoromethyl)pyrazol-1-yl]aniline |
| InChI | InChI=1S/C10H8F3N3/c11-10(12,13)7-5-15-16(6-7)9-3-1-2-8(14)4-9/h1-6H,14H2 |
| InChI Key | ZJMUGLHQYNTZHF-UHFFFAOYSA-N |
| MDL Number | MFCD18839046 |
| Molecular Formula | C10H8F3N3 |
| Molecular Weight | 227.1858 |
| SMILES | NC1=CC(N2N=CC(C(F)(F)F)=C2)=CC=C1 |
| Synonyms | 3-[4-(trifluoromethyl)-1H-pyrazol-1-yl]aniline,
1306605-68-4,
ZINC68591928,
AKOS017405415,
NE48194,
EN300-77665,
|
| Complexity | 244 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 227.067g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 227.19g/mol |
| Monoisotopic Mass | 227.067g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 43.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number