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2-Cyclopropoxy-5-iodopyridine

CAT: 0127-OR1058182-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1058182-01Size:100 mg
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CAS Number
2089310-96-1
MDL Number
MFCD30188549
Purity
97%
Smiles
IC1=CN=C(OC2CC2)C=C1

Chemical Information

2-Cyclopropoxy-5-iodopyridine
CAS Number2089310-96-1
PubChem CID121231652
IUPAC Name2-cyclopropyloxy-5-iodopyridine
Molecular FormulaC8H8INO
Molecular Weight261.06
XLogP2.4
Topological Polar Surface Area22.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count11
Formal Charge0
Complexity138
SMILES
C1CC1OC2=NC=C(C=C2)I
InChI
InChI=1S/C8H8INO/c9-6-1-4-8(10-5-6)11-7-2-3-7/h1,4-5,7H,2-3H2
InChIKey
OXFOZWJRTJUWKU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Cyclopropoxy-5-iodopyridine
CAS: 2089310-96-1
CID: 121231652
Formula: C8H8INO
MW: 261.06
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight261.06
XLogP32.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass260.96506
Monoisotopic Mass260.96506
Topological Polar Surface Area22.1 Ų
Heavy Atom Count11
Formal Charge0
Complexity138
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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