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Home Other Building Blocks 1-Trifluoromethyl-1,2-benziodoxol-3-(1h)-one

1-Trifluoromethyl-1,2-benziodoxol-3-(1h)-one

CAS No.:
887144-94-7
Catalog Number:
AG0036A7
Molecular Formula:
C8H4F3IO2
Molecular Weight:
316.0158
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$22
- +
5g
95%
In Stock USA
United States
$59
- +
10g
95%
In Stock USA
United States
$105
- +
25g
95%
In Stock USA
United States
$209
- +
100g
95%
In Stock USA
United States
$750
- +
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
Properties