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Acid Togni- (PhOCF2CF2) -reagent

CAT: 0013-GTR19236007-01Size: 0.25 gDry Ice: NoHazardous: No
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CAT#:0013-GTR19236007-01Size:0.25 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Acid Togni- (PhOCF2CF2) -reagent
CAS Number
2395814-86-3
Form
White to off-white solid
Smiles
FC (C (OC1=CC=CC=C1) (F) F) (F) I2C3=C (C (O2) =O) C=CC=C3
Molecular Formula
C15H9F4IO3
Molecular Weight
440.13
Storage Conditions
Storage/Stability: -20 °C. Handling Conditions: can be handled at room temperature for short time
Notes
For research use only.

Chemical Information

1-(phenoxy tetrafluoroethy)-1,2-benzidoxodol-3(1H)-one
CAS Number2395814-86-3
PubChem CID132282589
IUPAC Name1-(1,1,2,2-tetrafluoro-2-phenoxyethyl)-1lambda3,2-benziodoxol-3-one
Molecular FormulaC15H9F4IO3
Molecular Weight440.13
XLogP5.6
Topological Polar Surface Area35.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Heavy Atom Count23
Formal Charge0
Complexity454
SMILES
C1=CC=C(C=C1)OC(C(F)(F)I2C3=CC=CC=C3C(=O)O2)(F)F
InChI
InChI=1S/C15H9F4IO3/c16-14(17,15(18,19)22-10-6-2-1-3-7-10)20-12-9-5-4-8-11(12)13(21)23-20/h1-9H
InChIKey
XOCFCHXDNUILMR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-(phenoxy tetrafluoroethy)-1,2-benzidoxodol-3(1H)-one
CAS: 2395814-86-3
CID: 132282589
Formula: C15H9F4IO3
MW: 440.13
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight440.13
XLogP35.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Exact Mass439.95325
Monoisotopic Mass439.95325
Topological Polar Surface Area35.5 Ų
Heavy Atom Count23
Formal Charge0
Complexity454
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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