| CAS Number | 1806981-27-0 |
| Catalog Number | AG01B79E |
| Chemical Name | 2-Bromo-4-fluoro-5-(trifluoromethoxy)aniline |
| IUPAC Name | 2-bromo-4-fluoro-5-(trifluoromethoxy)aniline |
| InChI | InChI=1S/C7H4BrF4NO/c8-3-1-4(9)6(2-5(3)13)14-7(10,11)12/h1-2H,13H2 |
| InChI Key | NNYYXTHPUFLAOQ-UHFFFAOYSA-N |
| MDL Number | MFCD28096570 |
| Molecular Formula | C7H4BrF4NO |
| Molecular Weight | 274.0104 |
| SMILES | NC1=C(Br)C=C(F)C(OC(F)(F)F)=C1 |
| Synonyms | 2-Bromo-4-fluoro-5-(trifluoromethoxy)aniline,
1806981-27-0,
ZINC98211073,
|
| Complexity | 201 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 272.941g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 274.013g/mol |
| Monoisotopic Mass | 272.941g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 35.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number