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Home > Nitro Compounds > 88538-43-6
88538-43-6 | 1,5-Diazocine, octahydro-3,3,7,7-tetranitro-1-nitroso-
CAS No: 88538-43-6 Catalog No: AG0045P1 MDL No:
Product Description
Catalog Number:
AG0045P1
Chemical Name:
1,5-Diazocine, octahydro-3,3,7,7-tetranitro-1-nitroso-
CAS Number:
88538-43-6
Molecular Formula:
C6H9N7O9
Molecular Weight:
323.1772
IUPAC Name:
3,3,7,7-tetranitro-1-nitroso-1,5-diazocane
InChI:
InChI=1S/C6H9N7O9/c14-8-9-3-5(10(15)16,11(17)18)1-7-2-6(4-9,12(19)20)13(21)22/h7H,1-4H2
InChI Key:
SPOIHSORGZWKAW-UHFFFAOYSA-N
SMILES:
O=NN1CC(CNCC(C1)([N+](=O)[O-])[N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-]
Properties
Complexity:
443
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
323.046g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
12
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
323.178g/mol
Monoisotopic Mass:
323.046g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
228A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1
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