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86662-92-2 | 5H-Pyrido[3',2':4,5][1,2,3]triazolo[1,2-a]benzotriazolium,inner salt
CAS No: 86662-92-2 Catalog No: AG004KX9 MDL No:
Product Description
Catalog Number:
AG004KX9
Chemical Name:
5H-Pyrido[3',2':4,5][1,2,3]triazolo[1,2-a]benzotriazolium,inner salt
CAS Number:
86662-92-2
Molecular Formula:
C11H9N5
Molecular Weight:
211.2227
IUPAC Name:
1,3,8,9,10-pentazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,11,13,15-hexaene
InChI:
InChI=1S/C11H9N5/c1-2-6-10-8(4-1)13-16-14-9-5-3-7-12-11(9)15(10)16/h1-7,13-14H
InChI Key:
KLVLQQPIDNJCIA-UHFFFAOYSA-N
SMILES:
c1ccc2c(c1)N1N(N2)Nc2c1nccc2
Properties
Complexity:
284
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.086g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
211.228g/mol
Monoisotopic Mass:
211.086g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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