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Home > Indoles and Oxindole > 75318-65-9
75318-65-9 | 5H-[1,2,4]Triazolo[5,1-a]isoindole,2-[1,1'-biphenyl]-4-yl-
CAS No: 75318-65-9 Catalog No: AG005C7R MDL No:
Product Description
Catalog Number:
AG005C7R
Chemical Name:
5H-[1,2,4]Triazolo[5,1-a]isoindole,2-[1,1'-biphenyl]-4-yl-
CAS Number:
75318-65-9
Molecular Formula:
C21H15N3
Molecular Weight:
309.3639
IUPAC Name:
2-(4-phenylphenyl)-5H-[1,2,4]triazolo[5,1-a]isoindole
InChI:
InChI=1S/C21H15N3/c1-2-6-15(7-3-1)16-10-12-17(13-11-16)20-22-21-19-9-5-4-8-18(19)14-24(21)23-20/h1-13H,14H2
InChI Key:
CFLBLPUGAAOSLY-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)c1ccc(cc1)c1nn2c(n1)c1c(C2)cccc1
Properties
Complexity:
425
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
309.127g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
309.372g/mol
Monoisotopic Mass:
309.127g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
30.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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