| CAS Number | 1393442-16-4 |
| Catalog Number | AG009WX1(AGN-PC-0WAB7L) |
| Chemical Name | 5-Bromo-6-fluoro-1-isopropyl-2-methylbenzimidazole |
| IUPAC Name | 5-bromo-6-fluoro-2-methyl-1-propan-2-ylbenzimidazole |
| InChI | InChI=1S/C11H12BrFN2/c1-6(2)15-7(3)14-10-4-8(12)9(13)5-11(10)15/h4-6H,1-3H3 |
| InChI Key | KBZZQXZLCGOZDD-UHFFFAOYSA-N |
| MDL Number | MFCD22383702 |
| Molecular Formula | C11H12BrFN2 |
| Molecular Weight | 271.1288 |
| SMILES | Brc1cc2nc(n(c2cc1F)C(C)C)C |
| Synonyms | 5-BROMO-6-FLUORO-1-ISOPROPYL-2-METHYLBENZIMIDAZOLE,
1393442-16-4,
KM3902,
ZINC95495607,
V2928,
C11H12BrFN2,
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| Complexity | 237 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 270.017g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 271.133g/mol |
| Monoisotopic Mass | 270.017g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 17.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number