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2-Fluorobenzonitrile

CAT: 0024-sc-238050Size: 5 gDry Ice: NoHazardous: No
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CAT#:0024-sc-238050Size:5 g
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CAS Number
394-47-8

Chemical Information

2-Fluorobenzonitrile
CAS Number394-47-8
PubChem CID67855
IUPAC Name2-fluorobenzonitrile
Molecular FormulaC7H4FN
Molecular Weight121.11
XLogP1.5
Topological Polar Surface Area23.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count9
Formal Charge0
Complexity135
SMILES
C1=CC=C(C(=C1)C#N)F
InChI
InChI=1S/C7H4FN/c8-7-4-2-1-3-6(7)5-9/h1-4H
InChIKey
GDHXJNRAJRCGMX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Fluorobenzonitrile
CAS: 394-47-8
CID: 67855
Formula: C7H4FN
MW: 121.11
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight121.11
XLogP31.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass121.032777294
Monoisotopic Mass121.032777294
Topological Polar Surface Area23.8 Ų
Heavy Atom Count9
Formal Charge0
Complexity135
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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