Home Nitriles 2-(2H-Benzo[d][1,2,3]triazol-2-yl)acetonitrile

2-(2H-Benzo[d][1,2,3]triazol-2-yl)acetonitrile

CAS No.:
118521-81-6
Catalog Number:
AG009VA2
Molecular Formula:
Molecular Weight:
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
99%
1 week
United States
$350
- +
1g
99%
1 week
United States
$663
- +
Product Description
Catalog Number:
AG009VA2
Chemical Name:
2-(2H-Benzo[d][1,2,3]triazol-2-yl)acetonitrile
CAS Number:
118521-81-6
MDL Number:
MFCD01961343
IUPAC Name:
2-(benzotriazol-2-yl)acetonitrile
InChI:
InChI=1S/C8H6N4/c9-5-6-12-10-7-3-1-2-4-8(7)11-12/h1-4H,6H2
InChI Key:
ZVFQELVCIAQWTE-UHFFFAOYSA-N
Properties
Complexity:
192  
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:
1  
Topological Polar Surface Area:
54.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties