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(S)-Norfluoxetine Phthalimide

CAT: 0572-TRC-N681150-50MGSize: 50 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-N681150-50MGSize:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
878663-13-9
Synonyms
2-[(3S)-3-Phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]-1H-isoindole-1,3(2H)-dione; (S)-1-(Phthalimido)-3-[(4-trifluoromethylphenyl)oxy]-3-phenylpropane
Hazard Statement
No Data Available
Smiles
FC(F)(F)c1ccc(O[C@@H](CCN2C(=O)c3ccccc3C2=O)c4ccccc4)cc1
Molecular Formula
C24H18F3NO3
Molecular Weight
425.4
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

(S)-Norfluoxetine Phthalimide
CAS Number878663-13-9
PubChem CID67500193
IUPAC Name2-[(3S)-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]isoindole-1,3-dione
Molecular FormulaC24H18F3NO3
Molecular Weight425.4
XLogP5.3
Topological Polar Surface Area46.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count31
Formal Charge0
Complexity614
SMILES
C1=CC=C(C=C1)[C@H](CCN2C(=O)C3=CC=CC=C3C2=O)OC4=CC=C(C=C4)C(F)(F)F
InChI
InChI=1S/C24H18F3NO3/c25-24(26,27)17-10-12-18(13-11-17)31-21(16-6-2-1-3-7-16)14-15-28-22(29)19-8-4-5-9-20(19)23(28)30/h1-13,21H,14-15H2/t21-/m0/s1
InChIKey
HBVJWKXCFVAHNT-NRFANRHFSA-N
Chemical Structure
2D Structure
2D structure of (S)-Norfluoxetine Phthalimide
CAS: 878663-13-9
CID: 67500193
Formula: C24H18F3NO3
MW: 425.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight425.4
XLogP35.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass425.12387792
Monoisotopic Mass425.12387792
Topological Polar Surface Area46.6 Ų
Heavy Atom Count31
Formal Charge0
Complexity614
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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