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103349-75-3 | 1H-Benzo[1,2-d:3,4-d':5,6-d'']triimidazole(9CI)
CAS No: 103349-75-3 Catalog No: AG007GY9 MDL No:
Product Description
Catalog Number:
AG007GY9
Chemical Name:
1H-Benzo[1,2-d:3,4-d':5,6-d'']triimidazole(9CI)
CAS Number:
103349-75-3
Molecular Formula:
C9H4N6
Molecular Weight:
196.1683
IUPAC Name:
3,5,8,10,13,15-hexazatetracyclo[10.3.0.02,6.07,11]pentadeca-1,3,5,7,9,11,13-heptaene
InChI:
InChI=1S/C9H4N6/c1-10-4-5(11-1)7-9(15-3-13-7)8-6(4)12-2-14-8/h1-3H,(H,10,11)
InChI Key:
CLIUTTUMFJMISK-UHFFFAOYSA-N
SMILES:
C1=Nc2c(=N1)c1=NC=Nc1c1c2[nH]cn1
Properties
Complexity:
596
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.05g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
196.173g/mol
Monoisotopic Mass:
196.05g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
73.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8
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