200,000+ products from a single source!
sales@angenechem.com
89401-87-6 | 1H-1,2,4-Triazole, 1-[2-(2,4-dichlorophenyl)-2-ethoxy-6-hepten-3-ynyl]-
CAS No: 89401-87-6 Catalog No: AG003VZ0 MDL No:
Product Description
Catalog Number:
AG003VZ0
Chemical Name:
1H-1,2,4-Triazole, 1-[2-(2,4-dichlorophenyl)-2-ethoxy-6-hepten-3-ynyl]-
CAS Number:
89401-87-6
Molecular Formula:
C17H17Cl2N3O
Molecular Weight:
350.2424
IUPAC Name:
1-[2-(2,4-dichlorophenyl)-2-ethoxyhept-6-en-3-ynyl]-1,2,4-triazole
InChI:
InChI=1S/C17H17Cl2N3O/c1-3-5-6-9-17(23-4-2,11-22-13-20-12-21-22)15-8-7-14(18)10-16(15)19/h3,7-8,10,12-13H,1,4-5,11H2,2H3
InChI Key:
HHFUMUPUOZBEIH-UHFFFAOYSA-N
SMILES:
C=CCC#CC(c1ccc(cc1Cl)Cl)(Cn1cncn1)OCC
Properties
Complexity:
461
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
349.075g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
350.243g/mol
Monoisotopic Mass:
349.075g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
39.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.