| CAS Number | 1352318-52-5 |
| Catalog Number | AG007LHL(AGN-PC-0WAB4F) |
| Chemical Name | 5-Bromo-2-ethyl-6-fluoro-1-isopropylbenzimidazole |
| IUPAC Name | 5-bromo-2-ethyl-6-fluoro-1-propan-2-ylbenzimidazole |
| InChI | InChI=1S/C12H14BrFN2/c1-4-12-15-10-5-8(13)9(14)6-11(10)16(12)7(2)3/h5-7H,4H2,1-3H3 |
| InChI Key | URUOMJUOYMIMRN-UHFFFAOYSA-N |
| MDL Number | MFCD20491437 |
| Molecular Formula | C12H14BrFN2 |
| Molecular Weight | 285.1554 |
| SMILES | CCc1nc2c(n1C(C)C)cc(c(c2)Br)F |
| Synonyms | 5-Bromo-2-ethyl-6-fluoro-1-isopropylbenzimidazole,
1352318-52-5,
ACMC-209bze,
CTK8B0320,
DTXSID40718354,
ANW-19800,
MFCD20491437,
ZINC74937775,
AKOS026672799,
TC-108545,
Z9884,
K-4280,
5-Bromo-2-ethyl-6-fluoro-1-(propan-2-yl)-1H-benzimidazole,
C12H14BrFN2,
5-Bromo-2-ethyl-6-fluoro-1-isopropyl-1,3-benzodiazole,
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| Complexity | 249 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 284.032g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 285.16g/mol |
| Monoisotopic Mass | 284.032g/mol |
| Rotatable Bond Count | 2 |
| 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