| CAS Number | 1375069-11-6 |
| Catalog Number | AG0013FS(AGN-PC-0WAB2X) |
| Chemical Name | 5-Bromo-1-t-butyl-6,7-difluorobenzimidazole |
| IUPAC Name | 5-bromo-1-tert-butyl-6,7-difluorobenzimidazole |
| InChI | InChI=1S/C11H11BrF2N2/c1-11(2,3)16-5-15-7-4-6(12)8(13)9(14)10(7)16/h4-5H,1-3H3 |
| InChI Key | HLRTWXIBWGNBKD-UHFFFAOYSA-N |
| MDL Number | MFCD22205779 |
| Molecular Formula | C11H11BrF2N2 |
| Molecular Weight | 289.1192 |
| SMILES | Brc1cc2ncn(c2c(c1F)F)C(C)(C)C |
| Synonyms | 5-Bromo-1-t-butyl-6,7-difluorobenzimidazole,
1375069-11-6,
ACMC-209cdl,
C11H11BrF2N2,
CTK8B0665,
DTXSID80742996,
ANW-20311,
MFCD22205779,
ZINC85477237,
AKOS025394346,
TC-109056,
V2757,
5-Bromo-1-tert-butyl-6,7-difluoro-1H-benzimidazole,
1H-Benzimidazole, 5-bromo-1-(1,1-dimethylethyl)-6,7-difluoro-,
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| Complexity | 269 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 288.007g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 289.124g/mol |
| Monoisotopic Mass | 288.007g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 17.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number