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Home > Nitro Compounds > 117451-93-1
117451-93-1 | 1H-Pyrazole, 1-ethenyl-4-nitro-
CAS No: 117451-93-1 Catalog No: AG000EBZ MDL No:
Product Description
Catalog Number:
AG000EBZ
Chemical Name:
1H-Pyrazole, 1-ethenyl-4-nitro-
CAS Number:
117451-93-1
Molecular Formula:
C5H5N3O2
Molecular Weight:
139.1121
IUPAC Name:
1-ethenyl-4-nitropyrazole
InChI:
InChI=1S/C5H5N3O2/c1-2-7-4-5(3-6-7)8(9)10/h2-4H,1H2
InChI Key:
JGGBJLCPFMBNDY-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cn(nc1)C=C
Properties
Complexity:
154
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
139.038g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
139.114g/mol
Monoisotopic Mass:
139.038g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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