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233-93-2 | 2H-1,2,3-Triazolo[4,5-f]quinoxaline
CAS No: 233-93-2 Catalog No: AG002MUN MDL No:
Product Description
Catalog Number:
AG002MUN
Chemical Name:
2H-1,2,3-Triazolo[4,5-f]quinoxaline
CAS Number:
233-93-2
Molecular Formula:
C8H5N5
Molecular Weight:
171.1588
IUPAC Name:
2H-triazolo[4,5-f]quinoxaline
InChI:
InChI=1S/C8H5N5/c1-2-6-8(12-13-11-6)7-5(1)9-3-4-10-7/h1-4H,(H,11,12,13)
InChI Key:
XSJMOLCRLLDSFM-UHFFFAOYSA-N
SMILES:
c1cnc2c(n1)c1n[nH]nc1cc2
Properties
Complexity:
197
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.054g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
171.163g/mol
Monoisotopic Mass:
171.054g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
67.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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