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141079-01-8 | 4H-1,2,4-Triazole, 3-(4-chlorophenyl)-5-[(4-methylphenoxy)methyl]-4-(4-methylphenyl)-
CAS No: 141079-01-8 Catalog No: AG001FUB MDL No:
Product Description
Catalog Number:
AG001FUB
Chemical Name:
4H-1,2,4-Triazole, 3-(4-chlorophenyl)-5-[(4-methylphenoxy)methyl]-4-(4-methylphenyl)-
CAS Number:
141079-01-8
Molecular Formula:
C23H20ClN3O
Molecular Weight:
389.8774
IUPAC Name:
3-(4-chlorophenyl)-5-[(4-methylphenoxy)methyl]-4-(4-methylphenyl)-1,2,4-triazole
InChI:
InChI=1S/C23H20ClN3O/c1-16-3-11-20(12-4-16)27-22(15-28-21-13-5-17(2)6-14-21)25-26-23(27)18-7-9-19(24)10-8-18/h3-14H,15H2,1-2H3
InChI Key:
IGDFWKMEHWRDCM-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)n1c(COc2ccc(cc2)C)nnc1c1ccc(cc1)Cl
Properties
Complexity:
469
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
389.129g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
389.883g/mol
Monoisotopic Mass:
389.129g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
39.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6
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