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Home > Fluorides > 113689-59-1
113689-59-1 | Ethane, 1,1'-[(difluoromethylene)bis(oxy)]bis[2,2-difluoro-2-nitro- (9CI)
CAS No: 113689-59-1 Catalog No: AG0009CN MDL No:
Product Description
Catalog Number:
AG0009CN
Chemical Name:
Ethane, 1,1'-[(difluoromethylene)bis(oxy)]bis[2,2-difluoro-2-nitro- (9CI)
CAS Number:
113689-59-1
Molecular Formula:
C5H4F6N2O6
Molecular Weight:
302.0855
IUPAC Name:
2-[(2,2-difluoro-2-nitroethoxy)-difluoromethoxy]-1,1-difluoro-1-nitroethane
InChI:
InChI=1S/C5H4F6N2O6/c6-3(7,12(14)15)1-18-5(10,11)19-2-4(8,9)13(16)17/h1-2H2
InChI Key:
LCRBMFCOXTVDMX-UHFFFAOYSA-N
SMILES:
FC(OCC([N+](=O)[O-])(F)F)(OCC([N+](=O)[O-])(F)F)F
Properties
Complexity:
319
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.997g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
12
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
302.085g/mol
Monoisotopic Mass:
301.997g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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