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2'-Fluoro-4'-isopropoxyacetophenone

CAT: 0127-PC8852Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0127-PC8852Size:1 Each
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CAS Number
289039-80-1
MDL Number
MFCD00142714
Purity
97%
Smiles
CC(C)Oc1ccc(C(=O)C)c(F)c1

Chemical Information

2'-Fluoro-4'-isopropoxyacetophenone
CAS Number289039-80-1
PubChem CID2774527
IUPAC Name1-(2-fluoro-4-propan-2-yloxyphenyl)ethanone
Molecular FormulaC11H13FO2
Molecular Weight196.22
XLogP2.7
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count14
Formal Charge0
Complexity203
SMILES
CC(C)OC1=CC(=C(C=C1)C(=O)C)F
InChI
InChI=1S/C11H13FO2/c1-7(2)14-9-4-5-10(8(3)13)11(12)6-9/h4-7H,1-3H3
InChIKey
BONIEVGIZDNAQY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2'-Fluoro-4'-isopropoxyacetophenone
CAS: 289039-80-1
CID: 2774527
Formula: C11H13FO2
MW: 196.22
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight196.22
XLogP32.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass196.08995782
Monoisotopic Mass196.08995782
Topological Polar Surface Area26.3 Ų
Heavy Atom Count14
Formal Charge0
Complexity203
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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