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3,5-Dichloroisonicotinaldehyde

CAT: 0013-GTR19245418-01Size: 50 gDry Ice: NoHazardous: No
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CAT#:0013-GTR19245418-01Size:50 g
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Description
3,5-Dichloroisonicotinaldehyde is an aldehyde compound that can be used to synthesize heteroaryl sulfonyl carboxamides with heteroaryl sulfonamides.
CAS Number
136590-83-5
Smiles
ClC1=CN=CC (Cl) =C1C=O
Molecular Formula
C6H3Cl2NO
Molecular Weight
176
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

3,5-Dichloro-4-pyridinecarboxaldehyde
CAS Number136590-83-5
PubChem CID2762988
IUPAC Name3,5-dichloropyridine-4-carbaldehyde
Molecular FormulaC6H3Cl2NO
Molecular Weight176.00
XLogP1.6
Topological Polar Surface Area30
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count10
Formal Charge0
Complexity121
SMILES
C1=C(C(=C(C=N1)Cl)C=O)Cl
InChI
InChI=1S/C6H3Cl2NO/c7-5-1-9-2-6(8)4(5)3-10/h1-3H
InChIKey
RBFNWOINNIOZKR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3,5-Dichloro-4-pyridinecarboxaldehyde
CAS: 136590-83-5
CID: 2762988
Formula: C6H3Cl2NO
MW: 176.00
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight176.00
XLogP31.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass174.9591691
Monoisotopic Mass174.9591691
Topological Polar Surface Area30 Ų
Heavy Atom Count10
Formal Charge0
Complexity121
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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