| CAS Number | 50885-29-5 |
| Catalog Number | AG019XYL |
| Chemical Name | 4-Bromo-n-(2,2,2-trifluoroethyl)aniline |
| IUPAC Name | 4-bromo-N-(2,2,2-trifluoroethyl)aniline |
| InChI | InChI=1S/C8H7BrF3N/c9-6-1-3-7(4-2-6)13-5-8(10,11)12/h1-4,13H,5H2 |
| InChI Key | JHMCLUDNRSGKDA-UHFFFAOYSA-N |
| MDL Number | MFCD11153109 |
| Molecular Formula | C8H7BrF3N |
| Molecular Weight | 254.0471 |
| SMILES | FC(F)(F)CNC1=CC=C(Br)C=C1 |
| Synonyms | 4-bromo-N-(2,2,2-trifluoroethyl)aniline,
50885-29-5,
AC1Q4K7U,
CTK7B7181,
ZINC20051680,
AKOS000253946,
MCULE-3935379259,
NE15007,
N-(2,2,2-Trifluoroethyl)-4-bromoaniline,
BB 0241680,
EN300-56409,
J3.512.121H,
(4-Bromo-phenyl)-(2,2,2-trifluoro-ethyl)-amin e,
|
| Complexity | 152 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 252.971g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 254.05g/mol |
| Monoisotopic Mass | 252.971g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number