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113689-57-9

113689-57-9 | Ethane, 1,1'-[(dichloromethylene)bis(oxy)]bis[2,2-difluoro-2-nitro- (9CI)

CAS No: 113689-57-9 Catalog No: AG0009CP MDL No:

Product Description

Catalog Number:
AG0009CP
Chemical Name:
Ethane, 1,1'-[(dichloromethylene)bis(oxy)]bis[2,2-difluoro-2-nitro- (9CI)
CAS Number:
113689-57-9
Molecular Formula:
C5H4Cl2F4N2O6
Molecular Weight:
334.9947
IUPAC Name:
2-[dichloro-(2,2-difluoro-2-nitroethoxy)methoxy]-1,1-difluoro-1-nitroethane
InChI:
InChI=1S/C5H4Cl2F4N2O6/c6-5(7,18-1-3(8,9)12(14)15)19-2-4(10,11)13(16)17/h1-2H2
InChI Key:
VJFAOGMITFPLRN-UHFFFAOYSA-N
SMILES:
ClC(OCC([N+](=O)[O-])(F)F)(OCC([N+](=O)[O-])(F)F)Cl

Properties

Complexity:
325  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
333.938g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
10  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
334.989g/mol
Monoisotopic Mass:
333.938g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  

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