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3- (4-Fluorophenoxy) butan-2-one

CAT: 0127-PC28171-01Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0127-PC28171-01Size:500 mg
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CAS Number
30343-25-0
MDL Number
MFCD00243670
Purity
Tech
Smiles
CC(Oc1ccc(F)cc1)C(=O)C

Chemical Information

3-(4-Fluorophenoxy)-2-butanone
CAS Number30343-25-0
PubChem CID3613764
IUPAC Name3-(4-fluorophenoxy)butan-2-one
Molecular FormulaC10H11FO2
Molecular Weight182.19
XLogP2.1
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count13
Formal Charge0
Complexity174
SMILES
CC(C(=O)C)OC1=CC=C(C=C1)F
InChI
InChI=1S/C10H11FO2/c1-7(12)8(2)13-10-5-3-9(11)4-6-10/h3-6,8H,1-2H3
InChIKey
VHXVWRYLKQWAKQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-(4-Fluorophenoxy)-2-butanone
CAS: 30343-25-0
CID: 3613764
Formula: C10H11FO2
MW: 182.19
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight182.19
XLogP32.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass182.07430775
Monoisotopic Mass182.07430775
Topological Polar Surface Area26.3 Ų
Heavy Atom Count13
Formal Charge0
Complexity174
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes