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

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

CAS No.:
25699-89-2
Catalog Number:
AG00BU56
Molecular Formula:
C9H6N4
Molecular Weight:
170.1707
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$188
- +
5g
97%
In Stock USA
United States
$563
- +
10g
97%
In Stock USA
United States
$938
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25g
97%
In Stock USA
United States
$1875
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Product Description
Catalog Number:
AG00BU56
Chemical Name:
4-(1H-1,2,4-Triazol-1-yl)benzonitrile
CAS Number:
25699-89-2
Molecular Formula:
C9H6N4
Molecular Weight:
170.1707
MDL Number:
MFCD07368643
IUPAC Name:
4-(1,2,4-triazol-1-yl)benzonitrile
InChI:
InChI=1S/C9H6N4/c10-5-8-1-3-9(4-2-8)13-7-11-6-12-13/h1-4,6-7H
InChI Key:
GVHXOBQEQQQJEC-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)n1ncnc1
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:
1.4  
Properties