| CAS Number | 1393125-57-9 |
| Catalog Number | AG001APX(AGN-PC-0WAZJD) |
| Chemical Name | 4-[4-(trifluoromethyl)-1H-pyrazol-1-yl]aniline |
| IUPAC Name | 4-[4-(trifluoromethyl)pyrazol-1-yl]aniline |
| InChI | InChI=1S/C10H8F3N3/c11-10(12,13)7-5-15-16(6-7)9-3-1-8(14)2-4-9/h1-6H,14H2 |
| InChI Key | BOPUAJHAGIAXKV-UHFFFAOYSA-N |
| MDL Number | MFCD19438170 |
| Molecular Formula | C10H8F3N3 |
| Molecular Weight | 227.1858 |
| SMILES | FC(F)(F)C=1(C=NN(C=1)C2(=CC=C(N)C=C2)) |
| Synonyms | 1393125-57-9,
4-[4-(trifluoromethyl)-1H-pyrazol-1-yl]aniline,
4-(4-(TRIFLUOROMETHYL)-1H-PYRAZOL-1-YL)ANILINE,
SCHEMBL11900195,
MFCD19438170,
ZINC70018469,
AKOS013492689,
CS-W004223,
FK-0700,
KS-0000255W,
AK185088,
BC4562315,
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| Complexity | 236 |
| 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 |
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Certificate of Analysis
Lot Number