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6-Ethoxy-5-fluoronicotinaldehyde

CAT: 0127-PC1003384-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-PC1003384-01Size:100 mg
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CAS Number
886372-69-6
MDL Number
MFCD07374964
Purity
95%
Smiles
O=CC1=CN=C(OCC)C(F)=C1

Chemical Information

6-Ethoxy-5-fluoronicotinaldehyde
CAS Number886372-69-6
PubChem CID55212059
IUPAC Name6-ethoxy-5-fluoropyridine-3-carbaldehyde
Molecular FormulaC8H8FNO2
Molecular Weight169.15
XLogP1.1
Topological Polar Surface Area39.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count12
Formal Charge0
Complexity154
SMILES
CCOC1=C(C=C(C=N1)C=O)F
InChI
InChI=1S/C8H8FNO2/c1-2-12-8-7(9)3-6(5-11)4-10-8/h3-5H,2H2,1H3
InChIKey
VAKKZABHJLZCIX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-Ethoxy-5-fluoronicotinaldehyde
CAS: 886372-69-6
CID: 55212059
Formula: C8H8FNO2
MW: 169.15
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight169.15
XLogP31.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass169.05390666
Monoisotopic Mass169.05390666
Topological Polar Surface Area39.2 Ų
Heavy Atom Count12
Formal Charge0
Complexity154
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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