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141078-99-1 | 4H-1,2,4-Triazole, 3-[(4-methylphenoxy)methyl]-4,5-bis(4-methylphenyl)-
CAS No: 141078-99-1 Catalog No: AG001FUD MDL No:
Product Description
Catalog Number:
AG001FUD
Chemical Name:
4H-1,2,4-Triazole, 3-[(4-methylphenoxy)methyl]-4,5-bis(4-methylphenyl)-
CAS Number:
141078-99-1
Molecular Formula:
C24H23N3O
Molecular Weight:
369.4589
IUPAC Name:
3-[(4-methylphenoxy)methyl]-4,5-bis(4-methylphenyl)-1,2,4-triazole
InChI:
InChI=1S/C24H23N3O/c1-17-4-10-20(11-5-17)24-26-25-23(16-28-22-14-8-19(3)9-15-22)27(24)21-12-6-18(2)7-13-21/h4-15H,16H2,1-3H3
InChI Key:
QQSNXJBAOGUOOV-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)n1c(COc2ccc(cc2)C)nnc1c1ccc(cc1)C
Properties
Complexity:
463
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
369.184g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
369.468g/mol
Monoisotopic Mass:
369.184g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
39.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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