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2-FLUORO-5-FORMYLBENZONITRILE

CAT: 1489-F7740-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:1489-F7740-01Size:1 g
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CAS Number
218301-22-5
Purity
0.98

Chemical Information

2-Fluoro-5-formylbenzonitrile
CAS Number218301-22-5
PubChem CID2769582
IUPAC Name2-fluoro-5-formylbenzonitrile
Molecular FormulaC8H4FNO
Molecular Weight149.12
XLogP1.2
Topological Polar Surface Area40.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count11
Formal Charge0
Complexity196
SMILES
C1=CC(=C(C=C1C=O)C#N)F
InChI
InChI=1S/C8H4FNO/c9-8-2-1-6(5-11)3-7(8)4-10/h1-3,5H
InChIKey
MOFRJTLODZILCR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Fluoro-5-formylbenzonitrile
CAS: 218301-22-5
CID: 2769582
Formula: C8H4FNO
MW: 149.12
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight149.12
XLogP31.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass149.027691913
Monoisotopic Mass149.027691913
Topological Polar Surface Area40.9 Ų
Heavy Atom Count11
Formal Charge0
Complexity196
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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