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113689-58-0 | Ethane, 1,1'-[(dichloromethylene)bis(oxy)]bis[2-fluoro-2,2-dinitro- (9CI)
CAS No: 113689-58-0 Catalog No: AG0009CO MDL No:
Product Description
Catalog Number:
AG0009CO
Chemical Name:
Ethane, 1,1'-[(dichloromethylene)bis(oxy)]bis[2-fluoro-2,2-dinitro- (9CI)
CAS Number:
113689-58-0
Molecular Formula:
C5H4Cl2F2N4O10
Molecular Weight:
389.0089
IUPAC Name:
2-[dichloro-(2-fluoro-2,2-dinitroethoxy)methoxy]-1-fluoro-1,1-dinitroethane
InChI:
InChI=1S/C5H4Cl2F2N4O10/c6-5(7,22-1-3(8,10(14)15)11(16)17)23-2-4(9,12(18)19)13(20)21/h1-2H2
InChI Key:
NMXFBFAKWCFBPU-UHFFFAOYSA-N
SMILES:
ClC(OCC([N+](=O)[O-])([N+](=O)[O-])F)(OCC([N+](=O)[O-])([N+](=O)[O-])F)Cl
Properties
Complexity:
437
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
387.927g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
12
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
389.002g/mol
Monoisotopic Mass:
387.927g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
202A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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