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89221-15-8 | 1H-1,2,3-Triazole, 1-ethyl-4-[4-(hexyloxy)phenyl]-
CAS No: 89221-15-8 Catalog No: AG0044MJ MDL No:
Product Description
Catalog Number:
AG0044MJ
Chemical Name:
1H-1,2,3-Triazole, 1-ethyl-4-[4-(hexyloxy)phenyl]-
CAS Number:
89221-15-8
Molecular Formula:
C16H23N3O
Molecular Weight:
273.3733
IUPAC Name:
1-ethyl-4-(4-hexoxyphenyl)triazole
InChI:
InChI=1S/C16H23N3O/c1-3-5-6-7-12-20-15-10-8-14(9-11-15)16-13-19(4-2)18-17-16/h8-11,13H,3-7,12H2,1-2H3
InChI Key:
IARBHGAVHSAGHH-UHFFFAOYSA-N
SMILES:
CCCCCCOc1ccc(cc1)c1nnn(c1)CC
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.184g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
273.38g/mol
Monoisotopic Mass:
273.184g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
39.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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