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3-Iodo-2-phenoxypyridine

CAT: 0127-OR1093787Size: 1 EachDry Ice: NoHazardous: No
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CAS Number
754214-57-8
MDL Number
MFCD22045490
Smiles
C1cnc (c (c1) I) Oc1ccccc1

Chemical Information

3-Iodo-2-phenoxypyridine
CAS Number754214-57-8
PubChem CID58730932
IUPAC Name3-iodo-2-phenoxypyridine
Molecular FormulaC11H8INO
Molecular Weight297.09
XLogP3.4
Topological Polar Surface Area22.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count14
Formal Charge0
Complexity171
SMILES
C1=CC=C(C=C1)OC2=C(C=CC=N2)I
InChI
InChI=1S/C11H8INO/c12-10-7-4-8-13-11(10)14-9-5-2-1-3-6-9/h1-8H
InChIKey
JVVIVAQZNSROHX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Iodo-2-phenoxypyridine
CAS: 754214-57-8
CID: 58730932
Formula: C11H8INO
MW: 297.09
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight297.09
XLogP33.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass296.96506
Monoisotopic Mass296.96506
Topological Polar Surface Area22.1 Ų
Heavy Atom Count14
Formal Charge0
Complexity171
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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