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141079-07-4 | 4H-1,2,4-Triazole, 3-[(4-chloro-3-methylphenoxy)methyl]-5-(4-chlorophenyl)-4-(4-methylphenyl)-
CAS No: 141079-07-4 Catalog No: AG001FVD MDL No:
Product Description
Catalog Number:
AG001FVD
Chemical Name:
4H-1,2,4-Triazole, 3-[(4-chloro-3-methylphenoxy)methyl]-5-(4-chlorophenyl)-4-(4-methylphenyl)-
CAS Number:
141079-07-4
Molecular Formula:
C23H19Cl2N3O
Molecular Weight:
424.3225
IUPAC Name:
3-[(4-chloro-3-methylphenoxy)methyl]-5-(4-chlorophenyl)-4-(4-methylphenyl)-1,2,4-triazole
InChI:
InChI=1S/C23H19Cl2N3O/c1-15-3-9-19(10-4-15)28-22(14-29-20-11-12-21(25)16(2)13-20)26-27-23(28)17-5-7-18(24)8-6-17/h3-13H,14H2,1-2H3
InChI Key:
OMEHJZPXXLTGQM-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)n1c(COc2ccc(c(c2)C)Cl)nnc1c1ccc(cc1)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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