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Home > Nitro Compounds > 16607-27-5
16607-27-5 | 4H-1,3-Benzodioxin, 6,8-dinitro-
CAS No: 16607-27-5 Catalog No: AG001WHH MDL No:
Product Description
Catalog Number:
AG001WHH
Chemical Name:
4H-1,3-Benzodioxin, 6,8-dinitro-
CAS Number:
16607-27-5
Molecular Formula:
C8H6N2O6
Molecular Weight:
226.1430
IUPAC Name:
6,8-dinitro-4H-1,3-benzodioxine
InChI:
InChI=1S/C8H6N2O6/c11-9(12)6-1-5-3-15-4-16-8(5)7(2-6)10(13)14/h1-2H,3-4H2
InChI Key:
UVPXPWJXOXDDKM-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(cc2c1OCOC2)[N+](=O)[O-]
NSC Number:
159059
Properties
Complexity:
298
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.023g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
226.144g/mol
Monoisotopic Mass:
226.023g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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