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86803-38-5 | Disulfide, (2-fluoro-2,2-dinitroethoxy)bis(2,2,2-trifluoroethoxy)methyltrichloromethyl
CAS No: 86803-38-5 Catalog No: AG004RSG MDL No:
Product Description
Catalog Number:
AG004RSG
Chemical Name:
Disulfide, (2-fluoro-2,2-dinitroethoxy)bis(2,2,2-trifluoroethoxy)methyltrichloromethyl
CAS Number:
86803-38-5
Molecular Formula:
C16H14Cl6F14N4O14S2
Molecular Weight:
1029.1264
IUPAC Name:
bis(2,2,2-trifluoroethoxy)methyl-[[[[bis(2,2,2-trifluoroethoxy)methyl-(2-fluoro-2,2-dinitroethoxy)-λ3-chloranyl]-dichloromethyl]disulfanyl]-dichloromethyl]-(2-fluoro-2,2-dinitroethoxy)-λ3-chlorane
InChI:
InChI=1S/C16H14Cl6F14N4O14S2/c17-15(18,21(53-5-13(35,37(41)42)38(43)44)7(49-1-9(23,24)25)50-2-10(26,27)28)55-56-16(19,20)22(54-6-14(36,39(45)46)40(47)48)8(51-3-11(29,30)31)52-4-12(32,33)34/h7-8H,1-6H2
InChI Key:
OZZVEKYWUYLUCM-UHFFFAOYSA-N
SMILES:
ClC([Cl](C(OCC(F)(F)F)OCC(F)(F)F)OCC([N+](=O)[O-])([N+](=O)[O-])F)(SSC([Cl](C(OCC(F)(F)F)OCC(F)(F)F)OCC([N+](=O)[O-])([N+](=O)[O-])F)(Cl)Cl)Cl
Properties
Complexity:
1180
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
1027.783g/mol
Formal Charge:
0
Heavy Atom Count:
56
Hydrogen Bond Acceptor Count:
30
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
1029.1g/mol
Monoisotopic Mass:
1025.786g/mol
Rotatable Bond Count:
21
Topological Polar Surface Area:
289A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9.7
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