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2-Ethoxy-3-iodopyridine

CAT: 0127-OR345138-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0127-OR345138-01Size:250 mg
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CAS Number
766557-60-2
MDL Number
MFCD00234318
Purity
98%
Smiles
CCOc1ncccc1I

Chemical Information

2-Ethoxy-3-iodopyridine
CAS Number766557-60-2
PubChem CID17750184
IUPAC Name2-ethoxy-3-iodopyridine
Molecular FormulaC7H8INO
Molecular Weight249.05
XLogP2.2
Topological Polar Surface Area22.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count10
Formal Charge0
Complexity99
SMILES
CCOC1=C(C=CC=N1)I
InChI
InChI=1S/C7H8INO/c1-2-10-7-6(8)4-3-5-9-7/h3-5H,2H2,1H3
InChIKey
QOCXFQFGXYWCHJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Ethoxy-3-iodopyridine
CAS: 766557-60-2
CID: 17750184
Formula: C7H8INO
MW: 249.05
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight249.05
XLogP32.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass248.96506
Monoisotopic Mass248.96506
Topological Polar Surface Area22.1 Ų
Heavy Atom Count10
Formal Charge0
Complexity99.6
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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