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233-62-5 | 1H-1,2,3-Triazolo[4,5-f]quinoline (9CI)
CAS No: 233-62-5 Catalog No: AG002MTQ MDL No:
Product Description
Catalog Number:
AG002MTQ
Chemical Name:
1H-1,2,3-Triazolo[4,5-f]quinoline (9CI)
CAS Number:
233-62-5
Molecular Formula:
C9H6N4
Molecular Weight:
170.1707
IUPAC Name:
2H-triazolo[4,5-f]quinoline
InChI:
InChI=1S/C9H6N4/c1-2-6-7(10-5-1)3-4-8-9(6)12-13-11-8/h1-5H,(H,11,12,13)
InChI Key:
GPPOBWAAESAUSF-UHFFFAOYSA-N
SMILES:
c1cnc2c(c1)c1[nH]nnc1cc2
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:
1
Isotope Atom Count:
0
Molecular Weight:
170.175g/mol
Monoisotopic Mass:
170.059g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
54.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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