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89778-94-9 | 1H-1,2,3-Triazole, 5-methyl-1-[4-(1-methylethoxy)phenyl]-4-phenyl-
CAS No: 89778-94-9 Catalog No: AG003YO4 MDL No:
Product Description
Catalog Number:
AG003YO4
Chemical Name:
1H-1,2,3-Triazole, 5-methyl-1-[4-(1-methylethoxy)phenyl]-4-phenyl-
CAS Number:
89778-94-9
Molecular Formula:
C18H19N3O
Molecular Weight:
293.3630
IUPAC Name:
5-methyl-4-phenyl-1-(4-propan-2-yloxyphenyl)triazole
InChI:
InChI=1S/C18H19N3O/c1-13(2)22-17-11-9-16(10-12-17)21-14(3)18(19-20-21)15-7-5-4-6-8-15/h4-13H,1-3H3
InChI Key:
DRELVTDIEHTXRX-UHFFFAOYSA-N
SMILES:
CC(Oc1ccc(cc1)n1nnc(c1C)c1ccccc1)C
Properties
Complexity:
335
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
293.153g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
293.37g/mol
Monoisotopic Mass:
293.153g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
39.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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