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106866-34-6 | [1,2,4]Triazino[1,6-a]benzimidazole(9CI)
CAS No: 106866-34-6 Catalog No: AG007BLD MDL No:
Product Description
Catalog Number:
AG007BLD
Chemical Name:
[1,2,4]Triazino[1,6-a]benzimidazole(9CI)
CAS Number:
106866-34-6
Molecular Formula:
C9H6N4
Molecular Weight:
170.1707
IUPAC Name:
[1,2,4]triazino[1,6-a]benzimidazole
InChI:
InChI=1S/C9H6N4/c1-2-4-8-7(3-1)12-9-5-10-6-11-13(8)9/h1-6H
InChI Key:
HGQSXHSXGUMOMR-UHFFFAOYSA-N
SMILES:
n1cnn2c(c1)nc1c2cccc1
Properties
Complexity:
196
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.059g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
170.175g/mol
Monoisotopic Mass:
170.059g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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