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2- (Difluoromethoxy) -6-fluorophenol

CAT: 0127-PC502281Size: 1 EachDry Ice: NoHazardous: No
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CAS Number
1261440-25-8
MDL Number
MFCD18395024
Purity
=95%
Smiles
Oc1c(F)cccc1OC(F)F

Chemical Information

2-(Difluoromethoxy)-6-fluorophenol
CAS Number1261440-25-8
PubChem CID129915784
IUPAC Name2-(difluoromethoxy)-6-fluorophenol
Molecular FormulaC7H5F3O2
Molecular Weight178.11
XLogP2.6
Topological Polar Surface Area29.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count12
Formal Charge0
Complexity143
SMILES
C1=CC(=C(C(=C1)F)O)OC(F)F
InChI
InChI=1S/C7H5F3O2/c8-4-2-1-3-5(6(4)11)12-7(9)10/h1-3,7,11H
InChIKey
WVBMQNBATULADL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(Difluoromethoxy)-6-fluorophenol
CAS: 1261440-25-8
CID: 129915784
Formula: C7H5F3O2
MW: 178.11
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight178.11
XLogP32.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass178.02416388
Monoisotopic Mass178.02416388
Topological Polar Surface Area29.5 Ų
Heavy Atom Count12
Formal Charge0
Complexity143
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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