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2712-78-9 | [Bis(trifluoroacetoxy)iodo]benzene
CAS No: 2712-78-9 Catalog No: AG0032I4 MDL No:MFCD00009672
Product Description
Catalog Number:
AG0032I4
Chemical Name:
[Bis(trifluoroacetoxy)iodo]benzene
CAS Number:
2712-78-9
Molecular Formula:
C10H5F6IO4
Molecular Weight:
430.0392
MDL Number:
MFCD00009672
IUPAC Name:
[phenyl-(2,2,2-trifluoroacetyl)oxy-λ3-iodanyl] 2,2,2-trifluoroacetate
InChI:
InChI=1S/C10H5F6IO4/c11-9(12,13)7(18)20-17(6-4-2-1-3-5-6)21-8(19)10(14,15)16/h1-5H
InChI Key:
PEZNEXFPRSOYPL-UHFFFAOYSA-N
SMILES:
O=C(C(F)(F)F)O[I](c1ccccc1)OC(=O)C(F)(F)F
EC Number:
220-308-0
UNII:
659SFV27XS
Properties
Complexity:
360
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
429.914g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
430.041g/mol
Monoisotopic Mass:
429.914g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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