200,000+ products from a single source!
sales@angenechem.com
Home > Imidazoles > 1491-04-9
1491-04-9 | 3H-1,2,4-Triazolo[4,3-a]benzimidazole
CAS No: 1491-04-9 Catalog No: AG001LED MDL No:
Product Description
Catalog Number:
AG001LED
Chemical Name:
3H-1,2,4-Triazolo[4,3-a]benzimidazole
CAS Number:
1491-04-9
Molecular Formula:
C8H6N4
Molecular Weight:
158.1600
IUPAC Name:
1H-[1,2,4]triazolo[4,3-a]benzimidazole
InChI:
InChI=1S/C8H6N4/c1-2-4-7-6(3-1)10-8-11-9-5-12(7)8/h1-4H,5H2
InChI Key:
JBMXDGPJHWHEQF-UHFFFAOYSA-N
SMILES:
c1ccc2c(c1)n1CN=Nc1n2
Properties
Complexity:
215
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.059g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
158.164g/mol
Monoisotopic Mass:
158.059g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
42.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.