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887144-94-7

887144-94-7 | 1-(Trifluoromethyl)-1,2-benziodoxol-3(1H)-one

CAS No: 887144-94-7 Catalog No: AG0036A7 MDL No:MFCD18800706

Product Description

Catalog Number:
AG0036A7
Chemical Name:
1-(Trifluoromethyl)-1,2-benziodoxol-3(1H)-one
CAS Number:
887144-94-7
Molecular Formula:
C8H4F3IO2
Molecular Weight:
316.0158
MDL Number:
MFCD18800706
IUPAC Name:
1-(trifluoromethyl)-1λ3,2-benziodoxol-3-one
InChI:
InChI=1S/C8H4F3IO2/c9-8(10,11)12-6-4-2-1-3-5(6)7(13)14-12/h1-4H
InChI Key:
XHEOXSQMBWJOKP-UHFFFAOYSA-N
SMILES:
O=C1O[I](c2c1cccc2)C(F)(F)F
UNII:
DHY074A7WG

Properties

Complexity:
254  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
315.921g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
316.018g/mol
Monoisotopic Mass:
315.921g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6  

Literature

Title Journal
Reactivity of a hypervalent iodine trifluoromethylating reagent toward THF: ring opening and formation of trifluoromethyl ethers. The Journal of organic chemistry 20100305
Acid-mediated formation of trifluoromethyl sulfonates from sulfonic acids and a hypervalent iodine trifluoromethylating agent. Chemical communications (Cambridge, England) 20091028

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