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Fluvoxketone

CAT: 0926-IF23526-02Size: 10 gDry Ice: NoHazardous: No
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CAT#:0926-IF23526-02Size:10 g
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CAS Number
61718-80-7
Synonyms
(4-Methoxybutyl) (4-trifluoromethylphenyl) methanone;5-Methoxy-1-[4- (trifluoromethyl) phenyl]-1-pentanone; Fluvoxamine impurity D
MDL Number
MFCD06658173
Smiles
COCCCCC (=O) C1=CC=C (C=C1) C (F) (F) F
Molecular Formula
C13H15F3O2
Molecular Weight
260.25 g/mol
Controlled
No

Chemical Information

5-Methoxy-4'-(trifluoromethyl)valerophenone

See also: 5-Mehoxy-1-[4-(trifluoromethyl)penyl]-1-pentanone (annotation moved to).

CAS Number61718-80-7
PubChem CID527103
IUPAC Name5-methoxy-1-[4-(trifluoromethyl)phenyl]pentan-1-one
Molecular FormulaC13H15F3O2
Molecular Weight260.25
XLogP3
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count18
Formal Charge0
Complexity255
SMILES
COCCCCC(=O)C1=CC=C(C=C1)C(F)(F)F
InChI
InChI=1S/C13H15F3O2/c1-18-9-3-2-4-12(17)10-5-7-11(8-6-10)13(14,15)16/h5-8H,2-4,9H2,1H3
InChIKey
VYKSRLDHXQURKA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-Methoxy-4'-(trifluoromethyl)valerophenone
CAS: 61718-80-7
CID: 527103
Formula: C13H15F3O2
MW: 260.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight260.25
XLogP33
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass260.10241420
Monoisotopic Mass260.10241420
Topological Polar Surface Area26.3 Ų
Heavy Atom Count18
Formal Charge0
Complexity255
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

Alternative Products

CatalogName
012488Fluvoxketone
TRC-D289925-250MGDesfluoro Fluvoxketone

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