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Home > Imidazoles > 81907-49-5
81907-49-5 | 1H-Benzimidazole,2,2'-(azodi-4,1-phenylene)bis- (9CI)
CAS No: 81907-49-5 Catalog No: AG005GZZ MDL No:
Product Description
Catalog Number:
AG005GZZ
Chemical Name:
1H-Benzimidazole,2,2'-(azodi-4,1-phenylene)bis- (9CI)
CAS Number:
81907-49-5
Molecular Formula:
C26H18N6
Molecular Weight:
414.4613
IUPAC Name:
bis[4-(1H-benzimidazol-2-yl)phenyl]diazene
InChI:
InChI=1S/C26H18N6/c1-2-6-22-21(5-1)27-25(28-22)17-9-13-19(14-10-17)31-32-20-15-11-18(12-16-20)26-29-23-7-3-4-8-24(23)30-26/h1-16H,(H,27,28)(H,29,30)
InChI Key:
ZRDKQEXGKVXZNX-UHFFFAOYSA-N
SMILES:
c1ccc2c(c1)[nH]c(n2)c1ccc(cc1)/N=N/c1ccc(cc1)c1nc2c([nH]1)cccc2
NSC Number:
63666
Properties
Complexity:
584
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
414.159g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
414.472g/mol
Monoisotopic Mass:
414.159g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
82.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.2
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