| CAS Number | 1417341-58-2 |
| Catalog Number | AG00HW6M(AGN-PC-0WR0LM) |
| Chemical Name | 6-Bromo-4-(trifluoromethoxy)-2-(trifluoromethyl)-1H-benzimidazole |
| IUPAC Name | 6-bromo-4-(trifluoromethoxy)-2-(trifluoromethyl)-1H-benzimidazole |
| InChI | InChI=1S/C9H3BrF6N2O/c10-3-1-4-6(5(2-3)19-9(14,15)16)18-7(17-4)8(11,12)13/h1-2H,(H,17,18) |
| InChI Key | PGXCQZTWGBXGMY-UHFFFAOYSA-N |
| MDL Number | MFCD22628767 |
| Molecular Formula | C9H3BrF6N2O |
| Molecular Weight | 349.0273 |
| SMILES | FC(F)(F)OC1=C2N=C(NC2=CC(Br)=C1)C(F)(F)F |
| Synonyms | 6-Bromo-4-(trifluoromethoxy)-2-(trifluoromethyl)-1H-benzimidazole,
1417341-58-2,
PGXCQZTWGBXGMY-UHFFFAOYSA-N,
6-Bromo-4-(trifluoromethoxy)-2-(trifluoromethyl)-1H-benzimidazole 97%,
ZX-AP001616,
MFCD22628767,
ZINC95215351,
PC49316,
PS-11049,
AS-813/43501740,
6-bromo-2-(trifluoromethyl)-1H-benzimidazol-4-yl trifluoromethyl ether,
|
| Complexity | 336 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 347.933g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 349.03g/mol |
| Monoisotopic Mass | 347.933g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 37.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number