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Home > Nitro Compounds > 1797103-21-9
1797103-21-9 | Dinitrodenafil
CAS No: 1797103-21-9 Catalog No: AG01CC13 MDL No:
Product Description
Catalog Number:
AG01CC13
Chemical Name:
Dinitrodenafil
CAS Number:
1797103-21-9
IUPAC Name:
5-(2-ethoxy-3,5-dinitrophenyl)-1-methyl-3-propyl-6H-pyrazolo[4,3-d]pyrimidin-7-one
InChI:
InChI=1S/C17H18N6O6/c1-4-6-11-13-14(21(3)20-11)17(24)19-16(18-13)10-7-9(22(25)26)8-12(23(27)28)15(10)29-5-2/h7-8H,4-6H2,1-3H3,(H,18,19,24)
InChI Key:
DAJHVHLPYQMYIL-UHFFFAOYSA-N
UNII:
2403OSR3WF
Properties
Complexity:
691
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
402.129g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
402.367g/mol
Monoisotopic Mass:
402.129g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
160A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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