Home Other Building Blocks 3-benzyl-4H-1,2,4-triazole

3-benzyl-4H-1,2,4-triazole

CAS No.:
21117-34-0
Catalog Number:
AG01E8G1
Molecular Formula:
Molecular Weight:
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01E8G1
Chemical Name:
3-benzyl-4H-1,2,4-triazole
CAS Number:
21117-34-0
MDL Number:
MFCD28128116
IUPAC Name:
5-benzyl-1H-1,2,4-triazole
InChI:
InChI=1S/C9H9N3/c1-2-4-8(5-3-1)6-9-10-7-11-12-9/h1-5,7H,6H2,(H,10,11,12)
InChI Key:
VZEAUAKJULSHNO-UHFFFAOYSA-N
Properties
Complexity:
132  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
159.08g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
159.192g/mol
Monoisotopic Mass:
159.08g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Literature
Title Journal
Synthesis, X-ray crystal structures, stabilities, and in vitro cytotoxic activities of new heteroarylacrylonitriles. Journal of medicinal chemistry 20040617
Properties