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Home > Nitro Compounds > 15794-43-1
15794-43-1 | 1,3-Benzodioxole, 5-nitro-6-(2-nitroethenyl)-
CAS No: 15794-43-1 Catalog No: AG001PUX MDL No:
Product Description
Catalog Number:
AG001PUX
Chemical Name:
1,3-Benzodioxole, 5-nitro-6-(2-nitroethenyl)-
CAS Number:
15794-43-1
Molecular Formula:
C9H6N2O6
Molecular Weight:
238.1537
IUPAC Name:
5-nitro-6-(2-nitroethenyl)-1,3-benzodioxole
InChI:
InChI=1S/C9H6N2O6/c12-10(13)2-1-6-3-8-9(17-5-16-8)4-7(6)11(14)15/h1-4H,5H2
InChI Key:
WWYLHVBUDLOVIP-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc2OCOc2cc1C=C[N+](=O)[O-]
Properties
Complexity:
346
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.023g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
238.155g/mol
Monoisotopic Mass:
238.023g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.8
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