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2,4-Dichloronicotinaldehyde

CAT: 0127-OR303843-01Size: 1 gDry Ice: NoHazardous: No
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CAS Number
134031-24-6
Synonyms
2,4-Dichloropyridine-3-carboxaldehyde, 2,4-Dichloro-3-formylpyridine
MDL Number
MFCD07437909
Purity
98%
Smiles
Clc1ccnc(Cl)c1C=O

Chemical Information

2,4-Dichloropyridine-3-carbaldehyde
CAS Number134031-24-6
PubChem CID15053985
IUPAC Name2,4-dichloropyridine-3-carbaldehyde
Molecular FormulaC6H3Cl2NO
Molecular Weight176.00
XLogP1.9
Topological Polar Surface Area30
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count10
Formal Charge0
Complexity131
SMILES
C1=CN=C(C(=C1Cl)C=O)Cl
InChI
InChI=1S/C6H3Cl2NO/c7-5-1-2-9-6(8)4(5)3-10/h1-3H
InChIKey
GWBHJHIZHNTJLA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,4-Dichloropyridine-3-carbaldehyde
CAS: 134031-24-6
CID: 15053985
Formula: C6H3Cl2NO
MW: 176.00
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight176.00
XLogP31.9
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
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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