| CAS Number | 34830-88-1 |
| Catalog Number | AG01EVMU(AGN-PC-0RA86S) |
| Chemical Name | 2-Ferrocenylbenzimidazole |
| IUPAC Name | cyclopenta-1,3-diene;2-cyclopenta-1,3-dien-1-yl-1H-benzimidazole;iron |
| InChI | InChI=1S/C12H10N2.C5H6.Fe/c1-2-6-9(5-1)12-13-10-7-3-4-8-11(10)14-12;1-2-4-5-3-1;/h1-5,7-8H,6H2,(H,13,14);1-4H,5H2; |
| InChI Key | GBRNZHGUSSNHQI-UHFFFAOYSA-N |
| MDL Number | MFCD20265177 |
| Molecular Formula | C17H16FeN2 |
| Molecular Weight | 304.1673 |
| SMILES | C1C=CC=C1.C1=CC=C(C1)c1nc2c([nH]1)cccc2.[Fe] |
| Synonyms | 34830-88-1,
2-Ferrocenylbenzimidazole,
|
| Complexity | 338 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 304.066g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 304.174g/mol |
| Monoisotopic Mass | 304.066g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 28.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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