Home Nitriles 1H-Indazole-4-carbonitrile

1H-Indazole-4-carbonitrile

CAS No.:
861340-10-5
Catalog Number:
AG004TWQ
Molecular Formula:
C8H5N3
Molecular Weight:
143.1454
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$94
- +
250mg
95%
In Stock USA
United States
$188
- +
1g
95%
In Stock USA
United States
$563
- +
Product Description
Catalog Number:
AG004TWQ
Chemical Name:
1H-Indazole-4-carbonitrile
CAS Number:
861340-10-5
Molecular Formula:
C8H5N3
Molecular Weight:
143.1454
MDL Number:
MFCD09261250
IUPAC Name:
1H-indazole-4-carbonitrile
InChI:
InChI=1S/C8H5N3/c9-4-6-2-1-3-8-7(6)5-10-11-8/h1-3,5H,(H,10,11)
InChI Key:
SBVHLMVTWNMOPU-UHFFFAOYSA-N
SMILES:
N#Cc1cccc2c1cn[nH]2
Properties
Complexity:
193  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
143.048g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
143.149g/mol
Monoisotopic Mass:
143.048g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
52.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Literature
Title Journal
New hypotheses for the binding mode of 4- and 7-substituted indazoles in the active site of neuronal nitric oxide synthase. Bioorganic & medicinal chemistry 20120901
Properties