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292-48-8 | [1,2,3]Triazolo[4,5-d]-1,2,3-triazole (9CI)
CAS No: 292-48-8 Catalog No: AG002XOG MDL No:
Product Description
Catalog Number:
AG002XOG
Chemical Name:
[1,2,3]Triazolo[4,5-d]-1,2,3-triazole (9CI)
CAS Number:
292-48-8
Molecular Formula:
C2N6
Molecular Weight:
108.0616
IUPAC Name:
triazolo[4,5-d]triazole
InChI:
InChI=1S/C2N6/c3-1-2(5-7-3)6-8-4-1
InChI Key:
AFWHQLQLEUKQAH-UHFFFAOYSA-N
SMILES:
N1=NC2=NN=NC2=N1
Properties
Complexity:
180
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
108.018g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
108.064g/mol
Monoisotopic Mass:
108.018g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
74.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.1
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