Products for Research Use Only
RegisterLogin

Compound Fr13218

CAT: 0013-GTR19269894-01Size: 1 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0013-GTR19269894-01Size:1 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
Compound Fr13218, with CAS No. 671191-88-1, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound Fr13218 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
671191-88-1
Smiles
Fc1ccccc1S (=O) (=O) CCC#N
Molecular Formula
C9H8FNO2S
Molecular Weight
213.23
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

3-((2-Fluorophenyl)sulfonyl)propanenitrile
CAS Number671191-88-1
PubChem CID594342
IUPAC Name3-(2-fluorophenyl)sulfonylpropanenitrile
Molecular FormulaC9H8FNO2S
Molecular Weight213.23
XLogP0.9
Topological Polar Surface Area66.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count14
Formal Charge0
Complexity324
SMILES
C1=CC=C(C(=C1)F)S(=O)(=O)CCC#N
InChI
InChI=1S/C9H8FNO2S/c10-8-4-1-2-5-9(8)14(12,13)7-3-6-11/h1-2,4-5H,3,7H2
InChIKey
SNIYBIZRVFEKFX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-((2-Fluorophenyl)sulfonyl)propanenitrile
CAS: 671191-88-1
CID: 594342
Formula: C9H8FNO2S
MW: 213.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight213.23
XLogP30.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass213.02597783
Monoisotopic Mass213.02597783
Topological Polar Surface Area66.3 Ų
Heavy Atom Count14
Formal Charge0
Complexity324
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

Related Products

CatalogName
GTR19269940-01Compound Fr13618
GTR19269901-01Compound Fr13281
GTR19269893-01Compound Fr13217
GTR19269890Compound Fr13215
GTR19269892-01Compound Fr13216
GTR19269895-01Compound Fr13219
GTR19269906-01Compound Fr13290
GTR19269900-01Compound Fr13279
GTR19269897-01Compound Fr13232
GTR19269887-01Compound Fr13184

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

Popular Products