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3,5-dichloro-2-ethoxyisonicotinaldehyde

CAT: 0127-OR1090305-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1090305-01Size:250 mg
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CAS Number
2918848-99-2
MDL Number
MFCD34778913
Purity
95%
Smiles
C1 (cnc (c (c1C=O) Cl) OCC) Cl

Chemical Information

3,5-Dichloro-2-ethoxyisonicotinaldehyde
CAS Number2918848-99-2
PubChem CID177686186
IUPAC Name3,5-dichloro-2-ethoxypyridine-4-carbaldehyde
Molecular FormulaC8H7Cl2NO2
Molecular Weight220.05
XLogP2.2
Topological Polar Surface Area39.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count13
Formal Charge0
Complexity180
SMILES
CCOC1=NC=C(C(=C1Cl)C=O)Cl
InChI
InChI=1S/C8H7Cl2NO2/c1-2-13-8-7(10)5(4-12)6(9)3-11-8/h3-4H,2H2,1H3
InChIKey
FIWZYCQMGGTPJG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3,5-Dichloro-2-ethoxyisonicotinaldehyde
CAS: 2918848-99-2
CID: 177686186
Formula: C8H7Cl2NO2
MW: 220.05
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight220.05
XLogP32.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass218.9853839
Monoisotopic Mass218.9853839
Topological Polar Surface Area39.2 Ų
Heavy Atom Count13
Formal Charge0
Complexity180
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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