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1,7-Diiodoheptane

CAT: 0127-OR1065752-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1065752-01Size:100 mg
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CAS Number
51526-03-5
MDL Number
MFCD00142573
Purity
97% (stabilized with Copper chip)
Smiles
ICCCCCCCI

Chemical Information

1,7-Diiodoheptane
CAS Number51526-03-5
PubChem CID12644026
IUPAC Name1,7-diiodoheptane
Molecular FormulaC7H14I2
Molecular Weight351.99
XLogP5.2
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count6
Heavy Atom Count9
Formal Charge0
Complexity40
SMILES
C(CCCI)CCCI
InChI
InChI=1S/C7H14I2/c8-6-4-2-1-3-5-7-9/h1-7H2
InChIKey
ZZHWQLNCPAJXJE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1,7-Diiodoheptane
CAS: 51526-03-5
CID: 12644026
Formula: C7H14I2
MW: 351.99
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight351.99
XLogP35.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count6
Exact Mass351.91850
Monoisotopic Mass351.91850
Topological Polar Surface Area0 Ų
Heavy Atom Count9
Formal Charge0
Complexity40.2
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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