| CAS Number | 2089255-50-3 |
| Catalog Number | AG01BTIQ |
| Chemical Name | 4-Bromo-2-nitro-6-(trifluoromethyl)phenol |
| IUPAC Name | 4-bromo-2-nitro-6-(trifluoromethyl)phenol |
| InChI | InChI=1S/C7H3BrF3NO3/c8-3-1-4(7(9,10)11)6(13)5(2-3)12(14)15/h1-2,13H |
| InChI Key | AYVFNKSPGZOIPA-UHFFFAOYSA-N |
| MDL Number | MFCD30724140 |
| Molecular Formula | C7H3BrF3NO3 |
| Molecular Weight | 286.0028 |
| SMILES | OC1=C(C(F)(F)F)C=C(Br)C=C1[N+]([O-])=O |
| Synonyms | 4-bromo-2-nitro-6-(trifluoromethyl)phenol,
2089255-50-3,
ZINC575690781,
|
| Complexity | 255 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 284.925g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 286.004g/mol |
| Monoisotopic Mass | 284.925g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 66A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number