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89778-96-1 | 1H-1,2,3-Triazole, 1-[4-(hexyloxy)phenyl]-5-methyl-4-phenyl-
CAS No: 89778-96-1 Catalog No: AG0040I5 MDL No:
Product Description
Catalog Number:
AG0040I5
Chemical Name:
1H-1,2,3-Triazole, 1-[4-(hexyloxy)phenyl]-5-methyl-4-phenyl-
CAS Number:
89778-96-1
Molecular Formula:
C21H25N3O
Molecular Weight:
335.4427
IUPAC Name:
1-(4-hexoxyphenyl)-5-methyl-4-phenyltriazole
InChI:
InChI=1S/C21H25N3O/c1-3-4-5-9-16-25-20-14-12-19(13-15-20)24-17(2)21(22-23-24)18-10-7-6-8-11-18/h6-8,10-15H,3-5,9,16H2,1-2H3
InChI Key:
SVJBQVLPDGLHHZ-UHFFFAOYSA-N
SMILES:
CCCCCCOc1ccc(cc1)n1nnc(c1C)c1ccccc1
Properties
Complexity:
364
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
335.2g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
335.451g/mol
Monoisotopic Mass:
335.2g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
39.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7
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