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1855889-90-5 | 3-ethoxy-4-nitro-1-(4-nitro-1H-pyrazol-3-yl)-1H-pyrazole
CAS No: 1855889-90-5 Catalog No: AG01FKV9 MDL No:
Product Description
Catalog Number:
AG01FKV9
Chemical Name:
3-ethoxy-4-nitro-1-(4-nitro-1H-pyrazol-3-yl)-1H-pyrazole
CAS Number:
1855889-90-5
Molecular Formula:
C8H8N6O5
Molecular Weight:
268.1863
IUPAC Name:
3-ethoxy-4-nitro-1-(4-nitro-1H-pyrazol-5-yl)pyrazole
InChI:
InChI=1S/C8H8N6O5/c1-2-19-8-6(14(17)18)4-12(11-8)7-5(13(15)16)3-9-10-7/h3-4H,2H2,1H3,(H,9,10)
InChI Key:
IZXISLPHUVQFBG-UHFFFAOYSA-N
SMILES:
CCOc1nn(cc1[N+](=O)[O-])c1n[nH]cc1[N+](=O)[O-]
Properties
Complexity:
357
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.056g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
268.189g/mol
Monoisotopic Mass:
268.056g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
147A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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