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Home > Imidazoles > 157255-75-9
157255-75-9 | 5,5'-Bi-1H-imidazole
CAS No: 157255-75-9 Catalog No: AG001PCB MDL No:
Product Description
Catalog Number:
AG001PCB
Chemical Name:
5,5'-Bi-1H-imidazole
CAS Number:
157255-75-9
Molecular Formula:
C6H6N4
Molecular Weight:
134.1386
IUPAC Name:
5-(1H-imidazol-5-yl)-1H-imidazole
InChI:
InChI=1S/C6H6N4/c1-5(9-3-7-1)6-2-8-4-10-6/h1-4H,(H,7,9)(H,8,10)
InChI Key:
XHQBYEXEZXWROH-UHFFFAOYSA-N
SMILES:
n1cc([nH]c1)c1[nH]cnc1
Properties
Complexity:
102
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
134.059g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
134.142g/mol
Monoisotopic Mass:
134.059g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
57.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
Literature
| Title | Journal |
|---|---|
| Hydrogen-bonded networks in organic conductors: crystal structures and electronic properties of charge-transfer salts of tetracyanoquinodimethane with 4,4'-biimidazolium having multiprotonated States. | The Journal of organic chemistry 20050401 |
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