200,000+ products from a single source!
sales@angenechem.com
88557-59-9 | 1H-1,2,4-Triazole, 1-(4-iodo-1,1-diphenyl-3-butynyl)-
CAS No: 88557-59-9 Catalog No: AG004C2V MDL No:
Product Description
Catalog Number:
AG004C2V
Chemical Name:
1H-1,2,4-Triazole, 1-(4-iodo-1,1-diphenyl-3-butynyl)-
CAS Number:
88557-59-9
Molecular Formula:
C18H14IN3
Molecular Weight:
399.2283
IUPAC Name:
1-(4-iodo-1,1-diphenylbut-3-ynyl)-1,2,4-triazole
InChI:
InChI=1S/C18H14IN3/c19-13-7-12-18(22-15-20-14-21-22,16-8-3-1-4-9-16)17-10-5-2-6-11-17/h1-6,8-11,14-15H,12H2
InChI Key:
UPCSAJWFJGYCRA-UHFFFAOYSA-N
SMILES:
IC#CCC(n1cncn1)(c1ccccc1)c1ccccc1
Properties
Complexity:
395
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
399.023g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
399.235g/mol
Monoisotopic Mass:
399.023g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
30.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.