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141079-03-0 | 4H-1,2,4-Triazole, 3-(2,4-dichlorophenyl)-5-[(4-methylphenoxy)methyl]-4-(4-methylphenyl)-
CAS No: 141079-03-0 Catalog No: AG001FU9 MDL No:
Product Description
Catalog Number:
AG001FU9
Chemical Name:
4H-1,2,4-Triazole, 3-(2,4-dichlorophenyl)-5-[(4-methylphenoxy)methyl]-4-(4-methylphenyl)-
CAS Number:
141079-03-0
Molecular Formula:
C23H19Cl2N3O
Molecular Weight:
424.3225
IUPAC Name:
3-(2,4-dichlorophenyl)-5-[(4-methylphenoxy)methyl]-4-(4-methylphenyl)-1,2,4-triazole
InChI:
InChI=1S/C23H19Cl2N3O/c1-15-3-8-18(9-4-15)28-22(14-29-19-10-5-16(2)6-11-19)26-27-23(28)20-12-7-17(24)13-21(20)25/h3-13H,14H2,1-2H3
InChI Key:
YKVHPAZJXJVAHP-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)n1c(COc2ccc(cc2)C)nnc1c1ccc(cc1Cl)Cl
Properties
Complexity:
508
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
423.091g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
424.325g/mol
Monoisotopic Mass:
423.091g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
39.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.2
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