| CAS Number | 1261906-10-8 |
| Catalog Number | AG000S5G(AGN-PC-0WAB25) |
| Chemical Name | 5-Bromo-1-butyl-6-fluorobenzoimidazole, HCl |
| IUPAC Name | 5-bromo-1-butyl-6-fluorobenzimidazole |
| InChI | InChI=1S/C11H12BrFN2/c1-2-3-4-15-7-14-10-5-8(12)9(13)6-11(10)15/h5-7H,2-4H2,1H3 |
| InChI Key | FOMBBMGIYHOYON-UHFFFAOYSA-N |
| MDL Number | MFCD18914517 |
| Molecular Formula | C11H12BrFN2 |
| Molecular Weight | 271.1288 |
| SMILES | CCCCn1cnc2c1cc(F)c(c2)Br |
| Synonyms | 5-BROMO-1-BUTYL-6-FLUOROBENZOIMIDAZOLE,
1261906-10-8,
CTK4B5019,
DTXSID80682065,
ZINC65337225,
AKOS015835925,
5-Bromo-1-butyl-6-fluoro-1H-benzimidazole,
TR-035554,
1H-Benzimidazole, 5-bromo-1-butyl-6-fluoro-,
5-Bromo-1-butyl-6-fluoro-1H-benzo[d]imidazole,
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| Complexity | 215 |
| 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 | 3 |
| Topological Polar Surface Area | 17.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number