| CAS Number | 1400644-59-8 |
| Catalog Number | AG009WW7(AGN-PC-0WAB29) |
| Chemical Name | 5-Bromo-1-cyclohexyl-6-fluoro-2-methyl-1,3-benzodiazole |
| IUPAC Name | 5-bromo-1-cyclohexyl-6-fluoro-2-methylbenzimidazole |
| InChI | InChI=1S/C14H16BrFN2/c1-9-17-13-7-11(15)12(16)8-14(13)18(9)10-5-3-2-4-6-10/h7-8,10H,2-6H2,1H3 |
| InChI Key | KOSGUAKYZFFIMB-UHFFFAOYSA-N |
| MDL Number | MFCD22421520 |
| Molecular Formula | C14H16BrFN2 |
| Molecular Weight | 311.1926 |
| SMILES | Cc1nc2c(n1C1CCCCC1)cc(c(c2)Br)F |
| Synonyms | 5-BROMO-1-CYCLOHEXYL-6-FLUORO-2-METHYL-1,3-BENZODIAZOLE,
1400644-59-8,
C14H16BrFN2,
KM3920,
ZINC95495626,
V3005,
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| Complexity | 296 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 310.048g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 311.198g/mol |
| Monoisotopic Mass | 310.048g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 17.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.3 |
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Certificate of Analysis
Lot Number