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2,6-Difluoronicotinaldehyde

CAT: 0127-PC7981-01Size: 5 gDry Ice: NoHazardous: No
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CAT#:0127-PC7981-01Size:5 g
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CAS Number
155601-65-3
Synonyms
2,6-Difluoropyridine-3-carboxaldehyde, 2,6-Difluoro-3-formylpyridine
MDL Number
MFCD08277633
Purity
97%
Smiles
Fc1ccc(C=O)c(F)n1
Storage Conditions
Store at -20°C

Chemical Information

2,6-Difluoronicotinaldehyde
CAS Number155601-65-3
PubChem CID10701929
IUPAC Name2,6-difluoropyridine-3-carbaldehyde
Molecular FormulaC6H3F2NO
Molecular Weight143.09
XLogP1.2
Topological Polar Surface Area30
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count10
Formal Charge0
Complexity131
SMILES
C1=CC(=NC(=C1C=O)F)F
InChI
InChI=1S/C6H3F2NO/c7-5-2-1-4(3-10)6(8)9-5/h1-3H
InChIKey
ZYCCUPSLEFLBNR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,6-Difluoronicotinaldehyde
CAS: 155601-65-3
CID: 10701929
Formula: C6H3F2NO
MW: 143.09
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight143.09
XLogP31.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass143.01827004
Monoisotopic Mass143.01827004
Topological Polar Surface Area30 Ų
Heavy Atom Count10
Formal Charge0
Complexity131
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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