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89779-09-9 | 1H-1,2,3-Triazole, 1-[4-(hexyloxy)phenyl]-5-phenyl-
CAS No: 89779-09-9 Catalog No: AG0040I2 MDL No:
Product Description
Catalog Number:
AG0040I2
Chemical Name:
1H-1,2,3-Triazole, 1-[4-(hexyloxy)phenyl]-5-phenyl-
CAS Number:
89779-09-9
Molecular Formula:
C20H23N3O
Molecular Weight:
321.4161
IUPAC Name:
1-(4-hexoxyphenyl)-5-phenyltriazole
InChI:
InChI=1S/C20H23N3O/c1-2-3-4-8-15-24-19-13-11-18(12-14-19)23-20(16-21-22-23)17-9-6-5-7-10-17/h5-7,9-14,16H,2-4,8,15H2,1H3
InChI Key:
PJPXMUYRRWICPE-UHFFFAOYSA-N
SMILES:
CCCCCCOc1ccc(cc1)n1nncc1c1ccccc1
Properties
Complexity:
338
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
321.184g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
321.424g/mol
Monoisotopic Mass:
321.184g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
39.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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