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80199-97-9 | 2H-1,2,3-Triazole, 2-[[4-(phenylmethoxy)phenoxy]methyl]-
CAS No: 80199-97-9 Catalog No: AG005CAT MDL No:
Product Description
Catalog Number:
AG005CAT
Chemical Name:
2H-1,2,3-Triazole, 2-[[4-(phenylmethoxy)phenoxy]methyl]-
CAS Number:
80199-97-9
Molecular Formula:
C16H15N3O2
Molecular Weight:
281.3092
IUPAC Name:
2-[(4-phenylmethoxyphenoxy)methyl]triazole
InChI:
InChI=1S/C16H15N3O2/c1-2-4-14(5-3-1)12-20-15-6-8-16(9-7-15)21-13-19-17-10-11-18-19/h1-11H,12-13H2
InChI Key:
GWITXRMULARJMH-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)COc1ccc(cc1)OCn1nccn1
Properties
Complexity:
283
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.116g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
281.315g/mol
Monoisotopic Mass:
281.116g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
49.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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