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Home > Nitro Compounds > 116489-05-5
116489-05-5 | 4H-1,3-Benzodioxin-4-one, 6,8-dinitro-
CAS No: 116489-05-5 Catalog No: AG000CLQ MDL No:
Product Description
Catalog Number:
AG000CLQ
Chemical Name:
4H-1,3-Benzodioxin-4-one, 6,8-dinitro-
CAS Number:
116489-05-5
Molecular Formula:
C8H4N2O7
Molecular Weight:
240.1266
IUPAC Name:
6,8-dinitro-1,3-benzodioxin-4-one
InChI:
InChI=1S/C8H4N2O7/c11-8-5-1-4(9(12)13)2-6(10(14)15)7(5)16-3-17-8/h1-2H,3H2
InChI Key:
VOAGZQVLOYCJFQ-UHFFFAOYSA-N
SMILES:
O=C1OCOc2c1cc(cc2[N+](=O)[O-])[N+](=O)[O-]
Properties
Complexity:
360
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.002g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
240.127g/mol
Monoisotopic Mass:
240.002g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
127A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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