Home Nitriles 2-(1H-Pyrazol-3-yl)acetonitrile

2-(1H-Pyrazol-3-yl)acetonitrile

CAS No.:
135237-01-3
Catalog Number:
AG009BZY
Molecular Formula:
C5H5N3
Molecular Weight:
107.1133
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
In Stock USA
United States
$225
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Product Description
Catalog Number:
AG009BZY
Chemical Name:
2-(1H-Pyrazol-3-yl)acetonitrile
CAS Number:
135237-01-3
Molecular Formula:
C5H5N3
Molecular Weight:
107.1133
MDL Number:
MFCD08436151
IUPAC Name:
2-(1H-pyrazol-5-yl)acetonitrile
InChI:
InChI=1S/C5H5N3/c6-3-1-5-2-4-7-8-5/h2,4H,1H2,(H,7,8)
InChI Key:
IGBOXGVHHSLXPE-UHFFFAOYSA-N
SMILES:
C(c1cc[nH]n1)C#N
Properties
Complexity:
112  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
107.048g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
107.116g/mol
Monoisotopic Mass:
107.048g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
52.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1  
Properties