| CAS Number | 1805510-05-7 |
| Catalog Number | AG01DYZA |
| Chemical Name | 4-Bromo-2,6-Bis(Trifluoromethyl)Aniline |
| IUPAC Name | 4-bromo-2,6-bis(trifluoromethyl)aniline |
| InChI | InChI=1S/C8H4BrF6N/c9-3-1-4(7(10,11)12)6(16)5(2-3)8(13,14)15/h1-2H,16H2 |
| InChI Key | DDESBCKMFLXTKC-UHFFFAOYSA-N |
| MDL Number | MFCD28727798 |
| Molecular Formula | C8H4BrF6N |
| Molecular Weight | 308.0185 |
| SMILES | NC1=C(C(F)(F)F)C=C(Br)C=C1C(F)(F)F |
| Synonyms | 1805510-05-7,
HE-CHEMICAL 0331264,
AKOS034181690,
2,6-Bis(trifluoromethyl)-4-bromoaniline,
|
| Complexity | 226 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 306.943g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 308.021g/mol |
| Monoisotopic Mass | 306.943g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number