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89779-20-4 | 1H-1,2,3-Triazole, 1-[4-(hexyloxy)phenyl]-5-methyl-
CAS No: 89779-20-4 Catalog No: AG00400G MDL No:
Product Description
Catalog Number:
AG00400G
Chemical Name:
1H-1,2,3-Triazole, 1-[4-(hexyloxy)phenyl]-5-methyl-
CAS Number:
89779-20-4
Molecular Formula:
C15H21N3O
Molecular Weight:
259.3467
IUPAC Name:
1-(4-hexoxyphenyl)-5-methyltriazole
InChI:
InChI=1S/C15H21N3O/c1-3-4-5-6-11-19-15-9-7-14(8-10-15)18-13(2)12-16-17-18/h7-10,12H,3-6,11H2,1-2H3
InChI Key:
YZCLGZFCEBXOIR-UHFFFAOYSA-N
SMILES:
CCCCCCOc1ccc(cc1)n1nncc1C
Properties
Complexity:
242
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.168g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
259.353g/mol
Monoisotopic Mass:
259.168g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
39.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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