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Home > Nitro Compounds > 852326-80-8
852326-80-8 | 1,3,5-Triazocine, octahydro-1,3,5,7-tetranitro-
CAS No: 852326-80-8 Catalog No: AG004M3J MDL No:
Product Description
Catalog Number:
AG004M3J
Chemical Name:
1,3,5-Triazocine, octahydro-1,3,5,7-tetranitro-
CAS Number:
852326-80-8
Molecular Formula:
C5H9N7O8
Molecular Weight:
295.1671
IUPAC Name:
1,3,5,7-tetranitro-1,3,5-triazocane
InChI:
InChI=1S/C5H9N7O8/c13-9(14)5-1-6(10(15)16)3-8(12(19)20)4-7(2-5)11(17)18/h5H,1-4H2
InChI Key:
BOGBUZPLBKLRHI-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)C1CN(CN(CN(C1)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]
Properties
Complexity:
393
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.051g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
11
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
295.168g/mol
Monoisotopic Mass:
295.051g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
193A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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