| CAS Number | 1008361-62-3 |
| Catalog Number | AG01DTEI |
| Chemical Name | 5-Bromo-6-(trifluoromethyl)-1H-benzo[d]imidazole |
| IUPAC Name | 5-bromo-6-(trifluoromethyl)-1H-benzimidazole |
| InChI | InChI=1S/C8H4BrF3N2/c9-5-2-7-6(13-3-14-7)1-4(5)8(10,11)12/h1-3H,(H,13,14) |
| InChI Key | SSVCVDCKGHSFTM-UHFFFAOYSA-N |
| MDL Number | MFCD18642427 |
| Molecular Formula | C8H4BrF3N2 |
| Molecular Weight | 265.0300 |
| SMILES | FC(F)(F)C1C=C2NC=NC2=CC=1Br |
| Synonyms | 1008361-62-3,
5-bromo-6-(trifluoromethyl)-1H-benzo[d]imidazole,
1H-Benzimidazole, 6-bromo-5-(trifluoromethyl)-,
SCHEMBL848262,
SCHEMBL13137279,
SSVCVDCKGHSFTM-UHFFFAOYSA-N,
AKOS034112634,
ZINC114702535,
FCH1335721,
PC500998,
5-Bromo-6-trifluoromethyl-1H-benzimidazole,
6-Bromo-5-trifluoromethyl-1H-benzimidazole,
|
| 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
Certificate of Analysis
Lot Number