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2-Dioxolanylphenoxytetrafluorobromoethane

CAT: 0013-GTR19236055-01Size: 10 gDry Ice: NoHazardous: No
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CAT#:0013-GTR19236055-01Size:10 g
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Description
2-Dioxolanylphenoxytetrafluorobromoethane
CAS Number
1883744-08-8
Form
Colorless to slightly yellowish liquid
Smiles
FC (F) (C (F) (Br) F) OC1=C (C2OCCO2) C=CC=C1
Molecular Formula
C11H9BrF4O3
Molecular Weight
345.08
Storage Conditions
Storage/Stability: rt. Handling Conditions: avoid exposure to light
Notes
For research use only.

Chemical Information

2-Dioxolanylphenoxytetrafluorobromoethane
CAS Number1883744-08-8
PubChem CID138375885
IUPAC Name2-[2-(2-bromo-1,1,2,2-tetrafluoroethoxy)phenyl]-1,3-dioxolane
Molecular FormulaC11H9BrF4O3
Molecular Weight345.08
XLogP3.6
Topological Polar Surface Area27.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Heavy Atom Count19
Formal Charge0
Complexity310
SMILES
C1COC(O1)C2=CC=CC=C2OC(C(F)(F)Br)(F)F
InChI
InChI=1S/C11H9BrF4O3/c12-10(13,14)11(15,16)19-8-4-2-1-3-7(8)9-17-5-6-18-9/h1-4,9H,5-6H2
InChIKey
SECUOKUNAJMDJO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Dioxolanylphenoxytetrafluorobromoethane
CAS: 1883744-08-8
CID: 138375885
Formula: C11H9BrF4O3
MW: 345.08
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight345.08
XLogP33.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Exact Mass343.96712
Monoisotopic Mass343.96712
Topological Polar Surface Area27.7 Ų
Heavy Atom Count19
Formal Charge0
Complexity310
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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