| CAS Number | 1803589-01-6 |
| Catalog Number | AG01BHQB |
| Chemical Name | 2-chloro-N-methyl-4-(trifluoromethyl)aniline hydrochloride |
| IUPAC Name | 2-chloro-N-methyl-4-(trifluoromethyl)aniline;hydrochloride |
| InChI | InChI=1S/C8H7ClF3N.ClH/c1-13-7-3-2-5(4-6(7)9)8(10,11)12;/h2-4,13H,1H3;1H |
| InChI Key | BVGWMPKHGGAAGD-UHFFFAOYSA-N |
| MDL Number | MFCD28145366 |
| Molecular Formula | C8H8Cl2F3N |
| Molecular Weight | 246.0570 |
| SMILES | Cl.CNC1=C(Cl)C=C(C(F)(F)F)C=C1 |
| Synonyms | 2-chloro-N-methyl-4-(trifluoromethyl)aniline hydrochloride,
1803589-01-6,
|
| Complexity | 171 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 244.999g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 246.054g/mol |
| Monoisotopic Mass | 244.999g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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