| CAS Number | 1393442-64-2 |
| Catalog Number | AG009WWA(AGN-PC-0WAB2B) |
| Chemical Name | 5-Bromo-1-cyclopentyl-6-fluoro-2-methylbenzimidazole |
| IUPAC Name | 5-bromo-1-cyclopentyl-6-fluoro-2-methylbenzimidazole |
| InChI | InChI=1S/C13H14BrFN2/c1-8-16-12-6-10(14)11(15)7-13(12)17(8)9-4-2-3-5-9/h6-7,9H,2-5H2,1H3 |
| InChI Key | VVQSNHIJZWNKCL-UHFFFAOYSA-N |
| MDL Number | MFCD22383706 |
| Molecular Formula | C13H14BrFN2 |
| Molecular Weight | 297.1661 |
| SMILES | Cc1nc2c(n1C1CCCC1)cc(c(c2)Br)F |
| Synonyms | 5-BROMO-1-CYCLOPENTYL-6-FLUORO-2-METHYLBENZIMIDAZOLE,
1393442-64-2,
KM3911,
ZINC95495615,
AKOS026673205,
V2969,
C13H14BrFN2,
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| Complexity | 283 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 296.032g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 297.171g/mol |
| Monoisotopic Mass | 296.032g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 17.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number