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84833-18-1 | 4H-1,2,4-Triazole, 3,5-bis(4-methoxyphenyl)-4-phenyl-
CAS No: 84833-18-1 Catalog No: AG004QTQ MDL No:
Product Description
Catalog Number:
AG004QTQ
Chemical Name:
4H-1,2,4-Triazole, 3,5-bis(4-methoxyphenyl)-4-phenyl-
CAS Number:
84833-18-1
Molecular Formula:
C22H19N3O2
Molecular Weight:
357.4052
IUPAC Name:
3,5-bis(4-methoxyphenyl)-4-phenyl-1,2,4-triazole
InChI:
InChI=1S/C22H19N3O2/c1-26-19-12-8-16(9-13-19)21-23-24-22(17-10-14-20(27-2)15-11-17)25(21)18-6-4-3-5-7-18/h3-15H,1-2H3
InChI Key:
VYAYDOMBYCZUBY-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1nnc(n1c1ccccc1)c1ccc(cc1)OC
Properties
Complexity:
409
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
357.148g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
357.413g/mol
Monoisotopic Mass:
357.148g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
49.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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