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4- (2-Fluorophenyl) butan-2-one

CAT: 0926-NCA41665-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0926-NCA41665-01Size:250 mg
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CAS Number
63416-65-9
MDL Number
MFCD00517913
Smiles
CC (=O) CCC1=CC=CC=C1F
Molecular Formula
C10H11FO
Molecular Weight
166.19 g/mol
Controlled
No

Chemical Information

4-(2-Fluorophenyl)butan-2-one
CAS Number63416-65-9
PubChem CID12814700
IUPAC Name4-(2-fluorophenyl)butan-2-one
Molecular FormulaC10H11FO
Molecular Weight166.19
XLogP1.9
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count12
Formal Charge0
Complexity156
SMILES
CC(=O)CCC1=CC=CC=C1F
InChI
InChI=1S/C10H11FO/c1-8(12)6-7-9-4-2-3-5-10(9)11/h2-5H,6-7H2,1H3
InChIKey
GDRXVYJUCGIYLB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-(2-Fluorophenyl)butan-2-one
CAS: 63416-65-9
CID: 12814700
Formula: C10H11FO
MW: 166.19
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight166.19
XLogP31.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass166.079393132
Monoisotopic Mass166.079393132
Topological Polar Surface Area17.1 Ų
Heavy Atom Count12
Formal Charge0
Complexity156
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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Alternative Products

CatalogName
PC1006396-014- (2-Fluorophenyl) butan-2-one
PC1063091- (2-Fluorophenyl) butan-1-one
sc-348056A4- (4-fluorophenyl) butan-2-one
PC1003365-014- (4-Chloro-2-fluorophenyl) butan-2-one
PC1021841-012- (4-fluorophenyl) butan-2-ol
PC100687-014- (2-Fluorophenyl) butan-2-ol
4129392- (1- (4-Fluorophenyl) butan-1-one) haloperidol
407978-011- (4-Bromo-2-fluorophenyl) butan-1-one
TRC-F596220-50MG2-(1-(4-Fluorophenyl)butan-1-one)haloperidol
408228-011- (5-Bromo-2-fluorophenyl) butan-1-one

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