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2-Fluoro-6-phenoxybenzonitrile

CAT: 0926-FF69837Size: 100 gDry Ice: NoHazardous: No
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CAT#:0926-FF69837Size:100 g
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CAS Number
175204-06-5
MDL Number
MFCD00068201
Smiles
C1=CC=C (C=C1) OC2=C (C (=CC=C2) F) C#N
Molecular Formula
C13H8FNO
Molecular Weight
213.21 g/mol
Controlled
No

Chemical Information

2-Fluoro-6-phenoxybenzonitrile
CAS Number175204-06-5
PubChem CID2737453
IUPAC Name2-fluoro-6-phenoxybenzonitrile
Molecular FormulaC13H8FNO
Molecular Weight213.21
XLogP3.3
Topological Polar Surface Area33
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count16
Formal Charge0
Complexity266
SMILES
C1=CC=C(C=C1)OC2=C(C(=CC=C2)F)C#N
InChI
InChI=1S/C13H8FNO/c14-12-7-4-8-13(11(12)9-15)16-10-5-2-1-3-6-10/h1-8H
InChIKey
FBHXELGUZCMKQY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Fluoro-6-phenoxybenzonitrile
CAS: 175204-06-5
CID: 2737453
Formula: C13H8FNO
MW: 213.21
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight213.21
XLogP33.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass213.058992041
Monoisotopic Mass213.058992041
Topological Polar Surface Area33 Ų
Heavy Atom Count16
Formal Charge0
Complexity266
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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