Home Nitriles 3-Nitro-1H-pyrazole-4-carbonitrile

3-Nitro-1H-pyrazole-4-carbonitrile

CAS No.:
39205-87-3
Catalog Number:
AG00C8E6
Molecular Formula:
C4H2N4O2
Molecular Weight:
138.0843
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
98%
In Stock USA
United States
$119
- +
1g
98%
In Stock USA
United States
$298
- +
5g
98%
In Stock USA
United States
$894
- +
Product Description
Catalog Number:
AG00C8E6
Chemical Name:
3-Nitro-1H-pyrazole-4-carbonitrile
CAS Number:
39205-87-3
Molecular Formula:
C4H2N4O2
Molecular Weight:
138.0843
MDL Number:
MFCD00195039
IUPAC Name:
5-nitro-1H-pyrazole-4-carbonitrile
InChI:
InChI=1S/C4H2N4O2/c5-1-3-2-6-7-4(3)8(9)10/h2H,(H,6,7)
InChI Key:
BHWGVDFLAUBWLA-UHFFFAOYSA-N
SMILES:
N#Cc1c[nH]nc1[N+](=O)[O-]
Properties
Complexity:
189  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
138.018g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
138.086g/mol
Monoisotopic Mass:
138.018g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
98.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1  
Properties