| CAS Number | 641571-16-6 |
| Catalog Number | AG00EEXX(AGN-PC-0CSQZR) |
| Chemical Name | 3-(5-Methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)benzenamine |
| IUPAC Name | 3-(5-methylimidazol-1-yl)-5-(trifluoromethyl)aniline |
| InChI | InChI=1S/C11H10F3N3/c1-7-5-16-6-17(7)10-3-8(11(12,13)14)2-9(15)4-10/h2-6H,15H2,1H3 |
| InChI Key | ZGBBNCRXIKHGIB-UHFFFAOYSA-N |
| MDL Number | MFCD28127256 |
| Molecular Formula | C11H10F3N3 |
| Molecular Weight | 241.2124 |
| SMILES | CC1=CN=CN1C=1C=C(C=C(C1)C(F)(F)F)N |
| Synonyms | 641571-16-6,
Nilotinib Impurity 5,
SCHEMBL1566441,
ZGBBNCRXIKHGIB-UHFFFAOYSA-N,
3-(5-Methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)benzenamine,
AKOS027469890,
5-(5-Methyl-1H-imidazol-1-yl)-3-(trifluoromethyl)-benzenamine,
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| Complexity | 269 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 241.083g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 241.217g/mol |
| Monoisotopic Mass | 241.083g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 43.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number