| CAS Number | 1227513-97-4 |
| Catalog Number | AG01BBS4(AGN-PC-0WCSXZ) |
| Chemical Name | 3-Chloro-4-(trifluoromethyl)pyridin-2-amine |
| IUPAC Name | 3-chloro-4-(trifluoromethyl)pyridin-2-amine |
| InChI | InChI=1S/C6H4ClF3N2/c7-4-3(6(8,9)10)1-2-12-5(4)11/h1-2H,(H2,11,12) |
| InChI Key | NINXGROOEMZYSZ-UHFFFAOYSA-N |
| MDL Number | MFCD16606143 |
| Molecular Formula | C6H4ClF3N2 |
| Molecular Weight | 196.5576 |
| SMILES | NC1=C(Cl)C(C(F)(F)F)=CC=N1 |
| Synonyms | 3-CHLORO-4-(TRIFLUOROMETHYL)PYRIDIN-2-AMINE,
1227513-97-4,
2-AMINO-3-CHLORO-4-(TRIFLUOROMETHYL)PYRIDINE,
SCHEMBL20088854,
ZINC95761868,
AKOS027377293,
AB70882,
ACN-056334,
|
| Complexity | 161 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 196.002g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 196.557g/mol |
| Monoisotopic Mass | 196.002g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 38.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number