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

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

CAS No.:
550364-01-7
Catalog Number:
AG003I0S
Molecular Formula:
C9H6N4
Molecular Weight:
170.1707
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$104
- +
250mg
95%
In Stock USA
United States
$173
- +
1g
95%
In Stock USA
United States
$433
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Product Description
Catalog Number:
AG003I0S
Chemical Name:
3-(2H-1,2,3-Triazol-4-yl)benzonitrile
CAS Number:
550364-01-7
Molecular Formula:
C9H6N4
Molecular Weight:
170.1707
MDL Number:
MFCD23701622
IUPAC Name:
3-(2H-triazol-4-yl)benzonitrile
InChI:
InChI=1S/C9H6N4/c10-5-7-2-1-3-8(4-7)9-6-11-13-12-9/h1-4,6H,(H,11,12,13)
InChI Key:
WTEOJKCYXGSBQC-UHFFFAOYSA-N
SMILES:
N#Cc1cccc(c1)c1n[nH]nc1
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:
1  
Isotope Atom Count:
0
Molecular Weight:
170.175g/mol
Monoisotopic Mass:
170.059g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
65.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Literature
Title Journal
Rational design of 4-aryl-1,2,3-triazoles for indoleamine 2,3-dioxygenase 1 inhibition. Journal of medicinal chemistry 20120614
Properties