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Home > Nitro Compounds > 143954-47-6
143954-47-6 | 1,3-Dioxane, 4-methyl-2,6-bis(5-nitro-2-furanyl)-4-phenyl-
CAS No: 143954-47-6 Catalog No: AG001INU MDL No:
Product Description
Catalog Number:
AG001INU
Chemical Name:
1,3-Dioxane, 4-methyl-2,6-bis(5-nitro-2-furanyl)-4-phenyl-
CAS Number:
143954-47-6
Molecular Formula:
C19H16N2O8
Molecular Weight:
400.3389
IUPAC Name:
4-methyl-2,6-bis(5-nitrofuran-2-yl)-4-phenyl-1,3-dioxane
InChI:
InChI=1S/C19H16N2O8/c1-19(12-5-3-2-4-6-12)11-15(13-7-9-16(26-13)20(22)23)28-18(29-19)14-8-10-17(27-14)21(24)25/h2-10,15,18H,11H2,1H3
InChI Key:
LPDLVGFPCDDKOX-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(o1)C1OC(OC(C1)(C)c1ccccc1)c1ccc(o1)[N+](=O)[O-]
Properties
Complexity:
616
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
400.091g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
400.343g/mol
Monoisotopic Mass:
400.091g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
136A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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