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137589-20-9 | 2H-1,2,3-Triazole, 4-[2-(2,4-dimethylphenyl)diazenyl]-5-methyl-2-phenyl-
CAS No: 137589-20-9 Catalog No: AG0013KX MDL No:
Product Description
Catalog Number:
AG0013KX
Chemical Name:
2H-1,2,3-Triazole, 4-[2-(2,4-dimethylphenyl)diazenyl]-5-methyl-2-phenyl-
CAS Number:
137589-20-9
Molecular Formula:
C17H17N5
Molecular Weight:
291.3504
IUPAC Name:
(2,4-dimethylphenyl)-(5-methyl-2-phenyltriazol-4-yl)diazene
InChI:
InChI=1S/C17H17N5/c1-12-9-10-16(13(2)11-12)18-19-17-14(3)20-22(21-17)15-7-5-4-6-8-15/h4-11H,1-3H3
InChI Key:
RUXPDGVDYMARKS-UHFFFAOYSA-N
SMILES:
Cc1ccc(c(c1)C)N=Nc1nn(nc1C)c1ccccc1
Properties
Complexity:
379
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.148g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
291.358g/mol
Monoisotopic Mass:
291.148g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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