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Home > Fluorides > 114046-10-5
114046-10-5 | Propane, 2-[bis(2-fluoro-2,2-dinitroethoxy)methoxy]-1-fluoro-1,1-dinitro-
CAS No: 114046-10-5 Catalog No: AG000ADQ MDL No:
Product Description
Catalog Number:
AG000ADQ
Chemical Name:
Propane, 2-[bis(2-fluoro-2,2-dinitroethoxy)methoxy]-1-fluoro-1,1-dinitro-
CAS Number:
114046-10-5
Molecular Formula:
C8H9F3N6O15
Molecular Weight:
486.1835
IUPAC Name:
2-[bis(2-fluoro-2,2-dinitroethoxy)methoxy]-1-fluoro-1,1-dinitropropane
InChI:
InChI=1S/C8H9F3N6O15/c1-4(8(11,16(26)27)17(28)29)32-5(30-2-6(9,12(18)19)13(20)21)31-3-7(10,14(22)23)15(24)25/h4-5H,2-3H2,1H3
InChI Key:
HDTXACARPGJNNU-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)C([N+](=O)[O-])(COC(OC(C([N+](=O)[O-])([N+](=O)[O-])F)C)OCC([N+](=O)[O-])([N+](=O)[O-])F)F
Properties
Complexity:
693
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
486.008g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
18
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
486.182g/mol
Monoisotopic Mass:
486.008g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
303A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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