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Home > Quinoline > 127621-35-6
127621-35-6 | [1,2,4]Triazolo[4,3-a]quinoline, 5-methyl-1-phenyl-
CAS No: 127621-35-6 Catalog No: AG000X8B MDL No:
Product Description
Catalog Number:
AG000X8B
Chemical Name:
[1,2,4]Triazolo[4,3-a]quinoline, 5-methyl-1-phenyl-
CAS Number:
127621-35-6
Molecular Formula:
C17H13N3
Molecular Weight:
259.3052
IUPAC Name:
5-methyl-1-phenyl-[1,2,4]triazolo[4,3-a]quinoline
InChI:
InChI=1S/C17H13N3/c1-12-11-16-18-19-17(13-7-3-2-4-8-13)20(16)15-10-6-5-9-14(12)15/h2-11H,1H3
InChI Key:
JDLIHCYBHLTNTD-UHFFFAOYSA-N
SMILES:
Cc1cc2nnc(n2c2c1cccc2)c1ccccc1
Properties
Complexity:
339
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.111g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
259.312g/mol
Monoisotopic Mass:
259.111g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
30.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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