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141078-93-5 | 4H-1,2,4-Triazole, 3-(4-chlorophenyl)-4-(4-methylphenyl)-5-(phenoxymethyl)-
CAS No: 141078-93-5 Catalog No: AG001FUG MDL No:
Product Description
Catalog Number:
AG001FUG
Chemical Name:
4H-1,2,4-Triazole, 3-(4-chlorophenyl)-4-(4-methylphenyl)-5-(phenoxymethyl)-
CAS Number:
141078-93-5
Molecular Formula:
C22H18ClN3O
Molecular Weight:
375.8508
IUPAC Name:
3-(4-chlorophenyl)-4-(4-methylphenyl)-5-(phenoxymethyl)-1,2,4-triazole
InChI:
InChI=1S/C22H18ClN3O/c1-16-7-13-19(14-8-16)26-21(15-27-20-5-3-2-4-6-20)24-25-22(26)17-9-11-18(23)12-10-17/h2-14H,15H2,1H3
InChI Key:
HADQMNWSGVMPFX-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)n1c(nnc1c1ccc(cc1)Cl)COc1ccccc1
Properties
Complexity:
443
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
375.114g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
375.856g/mol
Monoisotopic Mass:
375.114g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
39.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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