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16112-40-6 | 4H-1,2,4-Triazole, 3,5-bis(4-methylphenyl)-4-phenyl-
CAS No: 16112-40-6 Catalog No: AG001S74 MDL No:
Product Description
Catalog Number:
AG001S74
Chemical Name:
4H-1,2,4-Triazole, 3,5-bis(4-methylphenyl)-4-phenyl-
CAS Number:
16112-40-6
Molecular Formula:
C22H19N3
Molecular Weight:
325.4064
IUPAC Name:
3,5-bis(4-methylphenyl)-4-phenyl-1,2,4-triazole
InChI:
InChI=1S/C22H19N3/c1-16-8-12-18(13-9-16)21-23-24-22(19-14-10-17(2)11-15-19)25(21)20-6-4-3-5-7-20/h3-15H,1-2H3
InChI Key:
VWSPCEALQPOMOO-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)c1nnc(n1c1ccccc1)c1ccc(cc1)C
Properties
Complexity:
374
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
325.158g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
325.415g/mol
Monoisotopic Mass:
325.158g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
30.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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