Catalog | OFC98816503 |
CAS | 98816-50-3 |
Category | Fluorinated Benzimidazoles |
Synonyms | 1,2,3-trimethyl-1H-benzo[d]imidazol-3-ium tetrafluoroborate |
MDL Number | MFCD00830322 |
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IUPAC Name | 1,2,3-trimethylbenzimidazol-3-ium;tetrafluoroborate |
InChI | InChI=1S/C10H13N2.BF4/c1-8-11(2)9-6-4-5-7-10(9)12(8)3;2-1(3,4)5/h4-7H,1-3H3;/q+1;-1 |
InChI Key | RRIWFHDNUFRYQY-UHFFFAOYSA-N |
Isomeric SMILES | [B-](F)(F)(F)F.CC1=[N+](C2=CC=CC=C2N1C)C |
Molecular Formula | C10H13BF4N2 |
Molecular Weight | 248.03 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 5 |
Rotatable Bond Count | 0 |
Exact Mass | 248.1107912 g/mol |
Monoisotopic Mass | 248.1107912 g/mol |
Topological Polar Surface Area | 8.8Ų |
Heavy Atom Count | 17 |
Formal Charge | 0 |
Complexity | 170 |
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