| CAS Number | 1784927-27-0 |
| Catalog Number | AG01C399 |
| Chemical Name | [4-(trifluoromethyl)pyrimidin-2-yl]methanamine hydrochloride |
| IUPAC Name | [4-(trifluoromethyl)pyrimidin-2-yl]methanamine;hydrochloride |
| InChI | InChI=1S/C6H6F3N3.ClH/c7-6(8,9)4-1-2-11-5(3-10)12-4;/h1-2H,3,10H2;1H |
| InChI Key | LUFYADRGJUXICK-UHFFFAOYSA-N |
| MDL Number | MFCD17676118 |
| Molecular Formula | C6H7ClF3N3 |
| Molecular Weight | 213.5881 |
| SMILES | Cl.NCC1=NC(C(F)(F)F)=CC=N1 |
| Synonyms | 1784927-27-0,
[4-(trifluoromethyl)pyrimidin-2-yl]methanamine hydrochloride,
Z2327226228,
|
| Complexity | 148 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 213.028g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 213.588g/mol |
| Monoisotopic Mass | 213.028g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 51.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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