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Home > Nitro Compounds > 88246-45-1
88246-45-1 | 1H-Pyrazole, 5-ethoxy-1,3-dimethyl-4-nitro-
CAS No: 88246-45-1 Catalog No: AG004AY9 MDL No:
Product Description
Catalog Number:
AG004AY9
Chemical Name:
1H-Pyrazole, 5-ethoxy-1,3-dimethyl-4-nitro-
CAS Number:
88246-45-1
Molecular Formula:
C7H11N3O3
Molecular Weight:
185.1805
IUPAC Name:
5-ethoxy-1,3-dimethyl-4-nitropyrazole
InChI:
InChI=1S/C7H11N3O3/c1-4-13-7-6(10(11)12)5(2)8-9(7)3/h4H2,1-3H3
InChI Key:
QMKDYUVBPNKZIX-UHFFFAOYSA-N
SMILES:
CCOc1n(C)nc(c1[N+](=O)[O-])C
Properties
Complexity:
194
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.08g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
185.183g/mol
Monoisotopic Mass:
185.08g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
72.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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