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Home > Nitro Compounds > 131851-86-0
131851-86-0 | 3H-Pyrazolo[1,5-b][1,2,4]triazole, 6-ethoxy-2-(3-nitrophenyl)-
CAS No: 131851-86-0 Catalog No: AG000ZT6 MDL No:
Product Description
Catalog Number:
AG000ZT6
Chemical Name:
3H-Pyrazolo[1,5-b][1,2,4]triazole, 6-ethoxy-2-(3-nitrophenyl)-
CAS Number:
131851-86-0
Molecular Formula:
C12H11N5O3
Molecular Weight:
273.2474
IUPAC Name:
6-ethoxy-2-(3-nitrophenyl)-3H-pyrazolo[1,5-b][1,2,4]triazole
InChI:
InChI=1S/C12H11N5O3/c1-2-20-11-7-10-13-12(15-16(10)14-11)8-4-3-5-9(6-8)17(18)19/h3-7H,2H2,1H3,(H,13,15)
InChI Key:
FQGRAZAFOSHLLL-UHFFFAOYSA-N
SMILES:
CCOc1nn2c(c1)nc([nH]2)c1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
364
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.086g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
273.252g/mol
Monoisotopic Mass:
273.086g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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