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34830-88-1 | 2-Ferrocenylbenzimidazole
CAS No: 34830-88-1 Catalog No: AG01EVMU MDL No:MFCD20265177
Product Description
Catalog Number:
AG01EVMU
Chemical Name:
2-Ferrocenylbenzimidazole
CAS Number:
34830-88-1
Molecular Formula:
C17H16FeN2
Molecular Weight:
304.1673
MDL Number:
MFCD20265177
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
SMILES:
C1C=CC=C1.C1=CC=C(C1)c1nc2c([nH]1)cccc2.[Fe]
Properties
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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