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BisfluoroModafinil

CAT: 0013-GTR19158154-07Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19158154-07Size:100 mg
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Description
CRL-40940 is a selective dopaminergic reuptake inhibitor.
CAS Number
90280-13-0
Purity
>98% (HPLC)
Solubility
DMSO:Soluble
Smiles
NC (=O) CS (=O) C (c1ccc (F) cc1) c1ccc (F) cc1
Molecular Formula
C15H13F2NO2S
Molecular Weight
309.3
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.
Other Product Names
2-[Bis (4-fluorophenyl) methylsulfinyl]acetamide

Chemical Information

2-((Bis(4-fluorophenyl)methyl)sulfinyl)acetamide
CAS Number90280-13-0
PubChem CID13271852
IUPAC Name2-[bis(4-fluorophenyl)methylsulfinyl]acetamide
Molecular FormulaC15H13F2NO2S
Molecular Weight309.3
XLogP1.9
Topological Polar Surface Area79.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count21
Formal Charge0
Complexity356
SMILES
C1=CC(=CC=C1C(C2=CC=C(C=C2)F)S(=O)CC(=O)N)F
InChI
InChI=1S/C15H13F2NO2S/c16-12-5-1-10(2-6-12)15(21(20)9-14(18)19)11-3-7-13(17)8-4-11/h1-8,15H,9H2,(H2,18,19)
InChIKey
YEAQNUMCWMRYMU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-((Bis(4-fluorophenyl)methyl)sulfinyl)acetamide
CAS: 90280-13-0
CID: 13271852
Formula: C15H13F2NO2S
MW: 309.3
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight309.3
XLogP31.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass309.06350616
Monoisotopic Mass309.06350616
Topological Polar Surface Area79.4 Ų
Heavy Atom Count21
Formal Charge0
Complexity356
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

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