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96228-76-1 | 3H-Pyrimido[4',5':3,4]cyclobuta[1,2-f]benzimidazole
CAS No: 96228-76-1 Catalog No: AG0068BD MDL No:
Product Description
Catalog Number:
AG0068BD
Chemical Name:
3H-Pyrimido[4',5':3,4]cyclobuta[1,2-f]benzimidazole
CAS Number:
96228-76-1
Molecular Formula:
C11H6N4
Molecular Weight:
194.1921
IUPAC Name:
4,6,11,13-tetrazatetracyclo[7.6.0.03,7.010,15]pentadeca-1,3(7),4,8,10,12,14-heptaene
InChI:
InChI=1S/C11H6N4/c1-6-7(2-10-9(1)13-5-14-10)11-8(6)3-12-4-15-11/h1-5H,(H,13,14)
InChI Key:
UQRKGCSMCLAZOI-UHFFFAOYSA-N
SMILES:
n1cnc2c(c1)c1c2cc2c(c1)nc[nH]2
Properties
Complexity:
269
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.059g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
194.197g/mol
Monoisotopic Mass:
194.059g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
54.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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