Home Nitriles 3-(1,2,4-Triazol-1-yl)benzonitrile

3-(1,2,4-Triazol-1-yl)benzonitrile

CAS No.:
25699-88-1
Catalog Number:
AG00I4WT
Molecular Formula:
C9H6N4
Molecular Weight:
170.1707
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
97%
In Stock USA
United States
$188
- +
1g
97%
In Stock USA
United States
$438
- +
5g
97%
In Stock USA
United States
$1375
- +
10g
97%
In Stock USA
United States
$2250
- +
Product Description
Catalog Number:
AG00I4WT
Chemical Name:
3-(1,2,4-Triazol-1-yl)benzonitrile
CAS Number:
25699-88-1
Molecular Formula:
C9H6N4
Molecular Weight:
170.1707
MDL Number:
MFCD19381859
IUPAC Name:
3-(1,2,4-triazol-1-yl)benzonitrile
InChI:
InChI=1S/C9H6N4/c10-5-8-2-1-3-9(4-8)13-7-11-6-12-13/h1-4,6-7H
InChI Key:
ARARITHHDLOSQH-UHFFFAOYSA-N
SMILES:
N#Cc1cccc(c1)n1cncn1
Properties
Complexity:
219  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.059g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
170.175g/mol
Monoisotopic Mass:
170.059g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
54.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties