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120121-60-0 | 3,7-Methano-1H-1,2-diazeto[3,4-f]benzimidazole (9CI)
CAS No: 120121-60-0 Catalog No: AG000QCY MDL No:
Product Description
Catalog Number:
AG000QCY
Chemical Name:
3,7-Methano-1H-1,2-diazeto[3,4-f]benzimidazole (9CI)
CAS Number:
120121-60-0
Molecular Formula:
C8H4N4
Molecular Weight:
156.1442
IUPAC Name:
3,5,9,10-tetrazatetracyclo[5.4.1.02,6.08,11]dodeca-1,3,6,8(11),9-pentaene
InChI:
InChI=1S/C8H4N4/c1-3-5-6(10-2-9-5)4(1)8-7(3)11-12-8/h2H,1H2,(H,9,10)
InChI Key:
CMSWNVLOMBLFMF-UHFFFAOYSA-N
SMILES:
C1=Nc2c(=N1)c1Cc2c2=NNc12
Properties
Complexity:
264
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
156.044g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
156.148g/mol
Monoisotopic Mass:
156.044g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
53.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.9
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