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Home > Nitro Compounds > 1204246-72-9
1204246-72-9 | 3-nitro-1H-pyrazole-5-carbonitrile
CAS No: 1204246-72-9 Catalog No: AG00HFGK MDL No:
Product Description
Catalog Number:
AG00HFGK
Chemical Name:
3-nitro-1H-pyrazole-5-carbonitrile
CAS Number:
1204246-72-9
Molecular Formula:
C4H2N4O2
Molecular Weight:
138.0843
IUPAC Name:
5-nitro-1H-pyrazole-3-carbonitrile
InChI:
InChI=1S/C4H2N4O2/c5-2-3-1-4(7-6-3)8(9)10/h1H,(H,6,7)
InChI Key:
OCDDVYNBKVIRIU-UHFFFAOYSA-N
SMILES:
N#Cc1[nH]nc(c1)[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:
0.4
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