200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 89779-08-8
89779-08-8 | 1H-1,2,3-Triazole, 1-(4-butoxyphenyl)-5-phenyl-
CAS No: 89779-08-8 Catalog No: AG0040I3 MDL No:
Product Description
Catalog Number:
AG0040I3
Chemical Name:
1H-1,2,3-Triazole, 1-(4-butoxyphenyl)-5-phenyl-
CAS Number:
89779-08-8
Molecular Formula:
C18H19N3O
Molecular Weight:
293.3630
IUPAC Name:
1-(4-butoxyphenyl)-5-phenyltriazole
InChI:
InChI=1S/C18H19N3O/c1-2-3-13-22-17-11-9-16(10-12-17)21-18(14-19-20-21)15-7-5-4-6-8-15/h4-12,14H,2-3,13H2,1H3
InChI Key:
RPUXDIDSINHGQC-UHFFFAOYSA-N
SMILES:
CCCCOc1ccc(cc1)n1nncc1c1ccccc1
Properties
Complexity:
312
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
293.153g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
293.37g/mol
Monoisotopic Mass:
293.153g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
39.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.