| CAS Number | 1360936-21-5 |
| Catalog Number | AG01FGE5(AGN-PC-3H4AJL) |
| Chemical Name | 6-fluoro-4-(trifluoromethyl)-1H-benzimidazole |
| IUPAC Name | 6-fluoro-4-(trifluoromethyl)-1H-benzimidazole |
| InChI | InChI=1S/C8H4F4N2/c9-4-1-5(8(10,11)12)7-6(2-4)13-3-14-7/h1-3H,(H,13,14) |
| InChI Key | YYYYQHNNTLLAEL-UHFFFAOYSA-N |
| MDL Number | MFCD28155024 |
| Molecular Formula | C8H4F4N2 |
| Molecular Weight | 204.1244 |
| SMILES | Fc1cc(c2c(c1)[nH]cn2)C(F)(F)F |
| Synonyms | 6-fluoro-4-(trifluoromethyl)-1H-benzimidazole,
1360936-21-5,
MFCD28155024,
ZINC252587538,
FCH2907077,
PC53032,
PS-11335,
6-Fluoro-4-trifluoromethyl-1H-benzimidazole,
AS-813/43501897,
|
| Complexity | 218 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 204.031g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 204.128g/mol |
| Monoisotopic Mass | 204.031g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 28.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number