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5-Formyl-2- (4-fluorophenyl) pyridine

CAT: 0127-PC1023575Size: 1 EachDry Ice: NoHazardous: No
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CAS Number
135958-93-9
MDL Number
MFCD04115445
Purity
97%
Smiles
C1 (cnc (cc1) c1ccc (cc1) F) C=O

Chemical Information

6-(4-Fluorophenyl)nicotinaldehyde
CAS Number135958-93-9
PubChem CID19812590
IUPAC Name6-(4-fluorophenyl)pyridine-3-carbaldehyde
Molecular FormulaC12H8FNO
Molecular Weight201.20
XLogP2.1
Topological Polar Surface Area30
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count15
Formal Charge0
Complexity214
SMILES
C1=CC(=CC=C1C2=NC=C(C=C2)C=O)F
InChI
InChI=1S/C12H8FNO/c13-11-4-2-10(3-5-11)12-6-1-9(8-15)7-14-12/h1-8H
InChIKey
WESBCTRYJPEULH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-(4-Fluorophenyl)nicotinaldehyde
CAS: 135958-93-9
CID: 19812590
Formula: C12H8FNO
MW: 201.20
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight201.20
XLogP32.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass201.058992041
Monoisotopic Mass201.058992041
Topological Polar Surface Area30 Ų
Heavy Atom Count15
Formal Charge0
Complexity214
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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Alternative Products

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