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75318-62-6 | [1,2,4]Triazolo[5,1-a]isoquinoline,2-[1,1'-biphenyl]-4-yl-
CAS No: 75318-62-6 Catalog No: AG005ME5 MDL No:
Product Description
Catalog Number:
AG005ME5
Chemical Name:
[1,2,4]Triazolo[5,1-a]isoquinoline,2-[1,1'-biphenyl]-4-yl-
CAS Number:
75318-62-6
Molecular Formula:
C22H15N3
Molecular Weight:
321.3746
IUPAC Name:
2-(4-phenylphenyl)-[1,2,4]triazolo[5,1-a]isoquinoline
InChI:
InChI=1S/C22H15N3/c1-2-6-16(7-3-1)17-10-12-19(13-11-17)21-23-22-20-9-5-4-8-18(20)14-15-25(22)24-21/h1-15H
InChI Key:
AJOKAHRNFHBQIS-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)c1ccc(cc1)c1nc2n(n1)ccc1c2cccc1
Properties
Complexity:
439
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
321.127g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
321.383g/mol
Monoisotopic Mass:
321.127g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
30.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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