| CAS Number | 351-45-1 |
| Catalog Number | AG019TZZ |
| Chemical Name | 3-Chloro-N-(2,2,2-trifluoroethyl)aniline |
| IUPAC Name | 3-chloro-N-(2,2,2-trifluoroethyl)aniline |
| InChI | InChI=1S/C8H7ClF3N/c9-6-2-1-3-7(4-6)13-5-8(10,11)12/h1-4,13H,5H2 |
| InChI Key | RDAKJSKMJRKRQA-UHFFFAOYSA-N |
| MDL Number | MFCD11152872 |
| Molecular Formula | C8H7ClF3N |
| Molecular Weight | 209.5961 |
| SMILES | FC(F)(F)CNC1=CC=CC(Cl)=C1 |
| Synonyms | 3-chloro-N-(2,2,2-trifluoroethyl)aniline,
351-45-1,
SCHEMBL18585308,
ZINC20050950,
AKOS000254275,
MCULE-8052562763,
NE21787,
BB 0241677,
(3-Chloro-phenyl)-(2,2,2-trifluoro-ethyl)-amine,
Z1335657432,
|
| Complexity | 160 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 209.022g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 209.596g/mol |
| Monoisotopic Mass | 209.022g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number