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Compound Fr13491

CAT: 0013-GTR19269928-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19269928-01Size:1 mg
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Description
Compound Fr13491, with CAS No. 264194-63-0, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound Fr13491 provides a structural basis and research tool for the design and screening of novel drug candidates, and is commonly used in drug discovery, drug synthesis, and related research.
CAS Number
264194-63-0
Smiles
CSCC (=O) Nc1ccc (F) c (Cl) c1
Molecular Formula
C9H9ClFNOS
Molecular Weight
233.69
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

N1-(3-chloro-4-fluorophenyl)-2-(methylthio)acetamide

N1-(3-chloro-4-fluorophenyl)-2-(methylthio)acetamide is an organofluorine compound.

CAS Number264194-63-0
PubChem CID2806035
IUPAC NameN-(3-chloro-4-fluorophenyl)-2-methylsulfanylacetamide
Molecular FormulaC9H9ClFNOS
Molecular Weight233.69
XLogP2.8
Topological Polar Surface Area54.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count14
Formal Charge0
Complexity205
SMILES
CSCC(=O)NC1=CC(=C(C=C1)F)Cl
InChI
InChI=1S/C9H9ClFNOS/c1-14-5-9(13)12-6-2-3-8(11)7(10)4-6/h2-4H,5H2,1H3,(H,12,13)
InChIKey
LEROBRNYCQGXOJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N1-(3-chloro-4-fluorophenyl)-2-(methylthio)acetamide
CAS: 264194-63-0
CID: 2806035
Formula: C9H9ClFNOS
MW: 233.69
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight233.69
XLogP32.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass233.0077409
Monoisotopic Mass233.0077409
Topological Polar Surface Area54.4 Ų
Heavy Atom Count14
Formal Charge0
Complexity205
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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GTR19269925-01Compound Fr13453
GTR19269921-01Compound Fr13416
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GTR19269901-01Compound Fr13281
GTR19269876-01Compound Fr13095
GTR19269941-01Compound Fr13621

Alternative Products

CatalogName
ALX-550-516-M025Compound A
XXC35825-01Compound 3a
Fr16729-01Compound Fr16729
PDK0296-01Compound PDK0296
PDK0264-01Compound PDK0264
Fr14090-01Compound Fr14090
Fr14018-01Compound Fr14018
Fr13991-01Compound Fr13991
Fr13830-01Compound Fr13830
Fr13814-01Compound Fr13814

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