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Home > Nitro Compounds > 70951-90-5
70951-90-5 | 1-ethyl-3,4-dinitro-1H-pyrazole
CAS No: 70951-90-5 Catalog No: AG01AOSV MDL No:MFCD28155594
Product Description
Catalog Number:
AG01AOSV
Chemical Name:
1-ethyl-3,4-dinitro-1H-pyrazole
CAS Number:
70951-90-5
Molecular Formula:
C5H6N4O4
Molecular Weight:
186.1255
MDL Number:
MFCD28155594
IUPAC Name:
1-ethyl-3,4-dinitropyrazole
InChI:
InChI=1S/C5H6N4O4/c1-2-7-3-4(8(10)11)5(6-7)9(12)13/h3H,2H2,1H3
InChI Key:
MXTUUGGKKRBKNS-UHFFFAOYSA-N
SMILES:
CCn1cc(c(n1)[N+](=O)[O-])[N+](=O)[O-]
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.039g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
186.127g/mol
Monoisotopic Mass:
186.039g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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