Catalog | OFC199594826 |
CAS | 199594-82-6 |
Category | Fluorinated Benzimidazoles |
Synonyms | 1-(2,6-difluorobenzyl)-4-methylbenzimidazole |
Purity | 97% |
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IUPAC Name | 1-[(2,6-difluorophenyl)methyl]-4-methylbenzimidazole |
InChI | InChI=1S/C15H12F2N2/c1-10-4-2-7-14-15(10)18-9-19(14)8-11-12(16)5-3-6-13(11)17/h2-7,9H,8H2,1H3 |
InChI Key | VPEWBYMJUVSDBS-UHFFFAOYSA-N |
Isomeric SMILES | CC1=C2C(=CC=C1)N(C=N2)CC3=C(C=CC=C3F)F |
Molecular Formula | C15H12F2N2 |
Molecular Weight | 258.27 |
XLogP3-AA | 3.6 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 3 |
Rotatable Bond Count | 2 |
Exact Mass | 258.09685472 g/mol |
Monoisotopic Mass | 258.09685472 g/mol |
Topological Polar Surface Area | 17.8Ų |
Heavy Atom Count | 19 |
Formal Charge | 0 |
Complexity | 303 |
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