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Octyl iodide

CAT: 0127-OR8222-02Size: 100 gDry Ice: NoHazardous: No
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CAT#:0127-OR8222-02Size:100 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
629-27-6
Synonyms
1-Iodooctane
MDL Number
MFCD00001105
Purity
98+%
Smiles
CCCCCCCCI
Additionnal Information
Stabilised with copper
Storage Conditions
Store at 2-8°C
Notes
Item removed from website - low value and poor sales don't warrant listing 09/11/16 ES

Chemical Information

1-Iodooctane
CAS Number629-27-6
PubChem CID12380
IUPAC Name1-iodooctane
Molecular FormulaC8H17I
Molecular Weight240.12
XLogP5.2
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count6
Heavy Atom Count9
Formal Charge0
Complexity43
SMILES
CCCCCCCCI
InChI
InChI=1S/C8H17I/c1-2-3-4-5-6-7-8-9/h2-8H2,1H3
InChIKey
UWLHSHAHTBJTBA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-Iodooctane
CAS: 629-27-6
CID: 12380
Formula: C8H17I
MW: 240.12
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight240.12
XLogP35.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count6
Exact Mass240.03750
Monoisotopic Mass240.03750
Topological Polar Surface Area0 Ų
Heavy Atom Count9
Formal Charge0
Complexity43.8
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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CatalogName
AX KI 5037-01Trimethyl (octyl) azanium iodide
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