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Home > Nitro Compounds > 84454-92-2
84454-92-2 | 1,3,5,7-Tetrazocine, 1-(azidomethyl)octahydro-3,5,7-trinitro-
CAS No: 84454-92-2 Catalog No: AG004SFP MDL No:
Product Description
Catalog Number:
AG004SFP
Chemical Name:
1,3,5,7-Tetrazocine, 1-(azidomethyl)octahydro-3,5,7-trinitro-
CAS Number:
84454-92-2
Molecular Formula:
C5H10N10O6
Molecular Weight:
306.1963
IUPAC Name:
1-(azidomethyl)-3,5,7-trinitro-1,3,5,7-tetrazocane
InChI:
InChI=1S/C5H10N10O6/c6-8-7-1-9-2-10(13(16)17)4-12(15(20)21)5-11(3-9)14(18)19/h1-5H2
InChI Key:
LQPBYJYWAAROGF-UHFFFAOYSA-N
SMILES:
[N-]=[N+]=NCN1CN(CN(CN(C1)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]
Properties
Complexity:
434
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.078g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
12
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
306.199g/mol
Monoisotopic Mass:
306.078g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
165A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.7
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