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3-Fluoropyridine-4-carboxaldehyde

CAT: 0926-FF98262-01Size: 25 gDry Ice: NoHazardous: No
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CAT#:0926-FF98262-01Size:25 g
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CAS Number
40273-47-0
MDL Number
MFCD06410686
Smiles
C1=CN=CC (=C1C=O) F
Molecular Formula
C6H4FNO
Molecular Weight
125.1 g/mol
Controlled
No

Chemical Information

3-Fluoroisonicotinaldehyde
CAS Number40273-47-0
PubChem CID2763003
IUPAC Name3-fluoropyridine-4-carbaldehyde
Molecular FormulaC6H4FNO
Molecular Weight125.10
XLogP0.4
Topological Polar Surface Area30
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count9
Formal Charge0
Complexity107
SMILES
C1=CN=CC(=C1C=O)F
InChI
InChI=1S/C6H4FNO/c7-6-3-8-2-1-5(6)4-9/h1-4H
InChIKey
KLKQXQXSZCNWLZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Fluoroisonicotinaldehyde
CAS: 40273-47-0
CID: 2763003
Formula: C6H4FNO
MW: 125.10
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight125.10
XLogP30.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass125.027691913
Monoisotopic Mass125.027691913
Topological Polar Surface Area30 Ų
Heavy Atom Count9
Formal Charge0
Complexity107
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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