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1,4-Diiodobutane

CAT: 0572-TRC-D455705-10GSize: 10 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-D455705-10GSize:10 g
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CAS Number
628-21-7
Synonyms
1,4-Diodobutane; NSC 31721; Tetramethylene Diiodide; alpha,ω-Diiodobutane
Hazard Statement
No Data Available
Smiles
ICCCCI
Molecular Formula
C4H8I2
Molecular Weight
309.92
Shipping Conditions
Room Temperature

Chemical Information

1,4-Diiodobutane
CAS Number628-21-7
PubChem CID12337
IUPAC Name1,4-diiodobutane
Molecular FormulaC4H8I2
Molecular Weight309.92
XLogP3.6
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count3
Heavy Atom Count6
Formal Charge0
Complexity17
SMILES
C(CCI)CI
InChI
InChI=1S/C4H8I2/c5-3-1-2-4-6/h1-4H2
InChIKey
ROUYUBHVBIKMQO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1,4-Diiodobutane
CAS: 628-21-7
CID: 12337
Formula: C4H8I2
MW: 309.92
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight309.92
XLogP33.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count3
Exact Mass309.87155
Monoisotopic Mass309.87155
Topological Polar Surface Area0 Ų
Heavy Atom Count6
Formal Charge0
Complexity17.5
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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