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3- (4-Fluorophenyl) thiophene

CAT: 0127-PC1023303Size: 1 EachDry Ice: NoHazardous: No
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CAS Number
119492-73-8
MDL Number
MFCD06740291
Purity
97%
Smiles
Fc1ccc (cc1) c1ccsc1

Chemical Information

3-(4-Fluorophenyl)thiophene
CAS Number119492-73-8
PubChem CID7176329
IUPAC Name3-(4-fluorophenyl)thiophene
Molecular FormulaC10H7FS
Molecular Weight178.23
XLogP3.3
Topological Polar Surface Area28.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count12
Formal Charge0
Complexity141
SMILES
C1=CC(=CC=C1C2=CSC=C2)F
InChI
InChI=1S/C10H7FS/c11-10-3-1-8(2-4-10)9-5-6-12-7-9/h1-7H
InChIKey
WUOUBJDINSHIPE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-(4-Fluorophenyl)thiophene
CAS: 119492-73-8
CID: 7176329
Formula: C10H7FS
MW: 178.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight178.23
XLogP33.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass178.02524956
Monoisotopic Mass178.02524956
Topological Polar Surface Area28.2 Ų
Heavy Atom Count12
Formal Charge0
Complexity141
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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