| CAS Number | 1822861-98-2 |
| Catalog Number | AG01FGV7(AGN-PC-3H4AKL) |
| Chemical Name | 4-Bromo-5-fluoro -2-(trifluoromethyl)-1H-benzimidazole |
| IUPAC Name | 4-bromo-5-fluoro-2-(trifluoromethyl)-1H-benzimidazole |
| InChI | InChI=1S/C8H3BrF4N2/c9-5-3(10)1-2-4-6(5)15-7(14-4)8(11,12)13/h1-2H,(H,14,15) |
| InChI Key | BTJAYVPQIRODJQ-UHFFFAOYSA-N |
| MDL Number | MFCD28154938 |
| Molecular Formula | C8H3BrF4N2 |
| Molecular Weight | 283.0204 |
| SMILES | BrC1=C(C=CC=2NC(=NC21)C(F)(F)F)F |
| Synonyms | 4-Bromo-5-fluoro -2-(trifluoromethyl)-1H-benzimidazole,
4-Bromo-5-fluoro-2-(trifluoromethyl)-1H-benzimidazole,
1822861-98-2,
MFCD28154938,
ZINC258329999,
PC501009,
N/A,
|
| Complexity | 247 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 281.942g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 283.024g/mol |
| Monoisotopic Mass | 281.942g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 28.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number