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Home > Imidazoles > 876500-71-9
876500-71-9 | Benzo[1,2-d:4,5-d']diimidazol-2(1H)-one(6CI)
CAS No: 876500-71-9 Catalog No: AG008EBR MDL No:
Product Description
Catalog Number:
AG008EBR
Chemical Name:
Benzo[1,2-d:4,5-d']diimidazol-2(1H)-one(6CI)
CAS Number:
876500-71-9
Molecular Formula:
C8H4N4O
Molecular Weight:
172.1436
IUPAC Name:
5H-imidazo[4,5-f]benzimidazol-2-one
InChI:
InChI=1S/C8H4N4O/c13-8-11-6-1-4-5(10-3-9-4)2-7(6)12-8/h1-3H,(H,9,10)
InChI Key:
GOKMHPHYGUSMLH-UHFFFAOYSA-N
SMILES:
O=C1N=c2c(N1)cc1=NC=Nc1c2
Properties
Complexity:
465
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.039g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
172.147g/mol
Monoisotopic Mass:
172.039g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
66.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.3
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