| CAS Number | 914637-51-7 |
| Catalog Number | AG00IGPU(AGN-PC-0WR4EF) |
| Chemical Name | 6-Bromo-4-(trifluoromethyl)benzimidazole |
| IUPAC Name | 6-bromo-4-(trifluoromethyl)-1H-benzimidazole |
| InChI | InChI=1S/C8H4BrF3N2/c9-4-1-5(8(10,11)12)7-6(2-4)13-3-14-7/h1-3H,(H,13,14) |
| InChI Key | SLVHWGQGUCBGGP-UHFFFAOYSA-N |
| MDL Number | MFCD08741395 |
| Molecular Formula | C8H4BrF3N2 |
| Molecular Weight | 265.0300 |
| SMILES | BrC=1C=C(C2=C(NC=N2)C1)C(F)(F)F |
| Synonyms | 914637-51-7,
6-BROMO-4-(TRIFLUOROMETHYL)BENZIMIDAZOLE,
6-Bromo-4-(trifluoromethyl)-1H-benzo[d]imidazole,
6-Bromo-4-(trifluoromethyl)-1H-benzimidazole,
6-bromo-4-(trifluoromethyl)-1H-1,3-benzodiazole,
CTK5I6540,
KS-00003QSM,
ZX-AP002147,
MFCD08741395,
PC2938,
SBB102866,
ZINC16158722,
AKOS026675544,
FCH1390068,
PS-6489,
6-Bromo-4-trifluoromethyl-1H-benzimidazole,
6-Bromo-4-(trifluoromethyl)-1H-benzimidazole 97%,
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| Complexity | 221 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 263.951g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 265.033g/mol |
| Monoisotopic Mass | 263.951g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 28.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number