| CAS Number | 1820687-67-9 |
| Catalog Number | AG01FH7P(AGN-PC-3H4AM8) |
| Chemical Name | 2-Amino-5-bromo-6-fluoro-3-nitrobenzotrifluoride |
| IUPAC Name | 4-bromo-3-fluoro-6-nitro-2-(trifluoromethyl)aniline |
| InChI | InChI=1S/C7H3BrF4N2O2/c8-2-1-3(14(15)16)6(13)4(5(2)9)7(10,11)12/h1H,13H2 |
| InChI Key | BLAKCIFWVCDGMU-UHFFFAOYSA-N |
| MDL Number | MFCD28515422 |
| Molecular Formula | C7H3BrF4N2O2 |
| Molecular Weight | 303.0085 |
| SMILES | [O-][N+](=O)c1cc(Br)c(c(c1N)C(F)(F)F)F |
| Synonyms | 4-Bromo-3-fluoro-6-nitro-2-(trifluoromethyl)aniline,
1820687-67-9,
MFCD28515422,
ZINC169801779,
PC50106,
PS-10449,
|
| Complexity | 283 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 301.931g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 303.011g/mol |
| Monoisotopic Mass | 301.931g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 71.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number