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1,3-diiodo-2-propanol - Compound Summary (CID 68295)

potential bacterial dental plaque control agent


Drug and Chemical Information: (Total:1)         

Safety and Toxicology

EINECS - European Inventory of Existing Commercial Chemical Substances

TOXLINE - Citations to the toxicological literature


Literature

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Depositor-Supplied Synonyms: (Total: 17)
Display: Next 7 | All | Sort:
Iopropane
Agojodo
Dijodan
Iothion
Jothion
Iotone
1,3-Diiodo-2-propanol
1,3-Diiodopropan-2-ol
1,3-Diiodoisopropyl alcohol
2-Propanol, 1,3-diiodo-


Properties Computed from Structure:
Molecular Weight311.88808 [g/mol]
Molecular FormulaC3H6I2O
XLogP3-AA1.8
H-Bond Donor1
H-Bond Acceptor1
Rotatable Bond Count2
Exact Mass311.850801
MonoIsotopic Mass311.850801
Topological Polar Surface Area20.2
Heavy Atom Count6
Formal Charge0
Complexity28
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1


Descriptors Computed from Structure:
IUPAC Name: 1,3-diiodopropan-2-ol
Canonical SMILES: C(C(CI)O)I
InChI: InChI=1S/C3H6I2O/c4-1-3(6)2-5/h3,6H,1-2H2
InChIKey: DNKPFCQEGBJJTE-UHFFFAOYSA-N


Compound Information:
CID 68295   
Create Date: 2005-08-08


Similar Compounds: 3 Links
Similar Conformers: 182 Links    View Conformers


Substance Information:
Substances: 5 Links

Category: [for same structure substances]
Biological Properties: 2 Links
   DiscoveryGate ( 1 )
SID 8192003 - External ID: 68295
   LeadScope ( 1 )
SID 50023111 - External ID: LS-122141

Journal Publishers: 1 Link
   Thomson Pharma ( 1 )
SID 14776632 - External ID: 00067691

Substance Vendors: 1 Link
   ChemSpider ( 1 )
SID 43124890 - External ID: 61592

Toxicology: 1 Link
   ChemIDplus ( 1 )
SID 210418 - External ID: 000534087
     

2D

3D
Compound ID68295
Molecular Weight311.88808 [g/mol]
Molecular FormulaC3H6I2O
XLogP3-AA1.8
H-Bond Donor1
H-Bond Acceptor1


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