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6-Chloropyridine-2-Carbaldehyde

CAT: 1489-C2690-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:1489-C2690-01Size:250 mg
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CAS Number
54087-03-5
Purity
0.98

Chemical Information

6-Chloro-2-pyridinecarboxaldehyde
CAS Number54087-03-5
PubChem CID10796848
IUPAC Name6-chloropyridine-2-carbaldehyde
Molecular FormulaC6H4ClNO
Molecular Weight141.55
XLogP1.6
Topological Polar Surface Area30
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count9
Formal Charge0
Complexity107
SMILES
C1=CC(=NC(=C1)Cl)C=O
InChI
InChI=1S/C6H4ClNO/c7-6-3-1-2-5(4-9)8-6/h1-4H
InChIKey
XTRLIKXVRGWTKW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-Chloro-2-pyridinecarboxaldehyde
CAS: 54087-03-5
CID: 10796848
Formula: C6H4ClNO
MW: 141.55
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight141.55
XLogP31.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass140.9981414
Monoisotopic Mass140.9981414
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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