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

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

CAS No.:
85862-71-1
Catalog Number:
AG00IDSP
Molecular Formula:
C9H6N4
Molecular Weight:
170.1707
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
97%
In Stock USA
United States
$125
- +
1g
97%
In Stock USA
United States
$313
- +
5g
97%
In Stock USA
United States
$938
- +
10g
97%
In Stock USA
United States
$1500
- +
Product Description
Catalog Number:
AG00IDSP
Chemical Name:
4-(1H-1,2,3-Triazol-1yl)-benzonitrile
CAS Number:
85862-71-1
Molecular Formula:
C9H6N4
Molecular Weight:
170.1707
MDL Number:
MFCD11100734
IUPAC Name:
4-(triazol-1-yl)benzonitrile
InChI:
InChI=1S/C9H6N4/c10-7-8-1-3-9(4-2-8)13-6-5-11-12-13/h1-6H
InChI Key:
FTMACWNFBQVPQX-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)n1ccnn1
Properties
Complexity:
211  
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:
1.1  
Properties