chloro-methyl-phenyl-λ3-iodane

C7H8ClI — CID 142040724

IUPACchloro-methyl-phenyl-λ3-iodane
SMILESCI(Cl)c1ccccc1
InChIInChI=1S/C7H8ClI/c1-9(8)7-5-3-2-4-6-7/h2-6H,1H3
InChIKeyXLYUZQYKQBDLTK-UHFFFAOYSA-N
MW254.50 g/mol
LogP3.15
Rot. Bonds1

About chloro-methyl-phenyl-λ3-iodane

chloro-methyl-phenyl-λ3-iodane (PubChem CID 142040724) has the molecular formula C7H8ClI and a molecular weight of 254.50 g/mol. Its IUPAC name is chloro-methyl-phenyl-λ3-iodane.

Molecular Properties

Compound Namechloro-methyl-phenyl-λ3-iodane
PubChem CID142040724
Molecular FormulaC7H8ClI
Molecular Weight254.50 g/mol
Exact Mass253.94
IUPAC Namechloro-methyl-phenyl-λ3-iodane
SMILESCI(Cl)c1ccccc1
InChIInChI=1S/C7H8ClI/c1-9(8)7-5-3-2-4-6-7/h2-6H,1H3
InChIKeyXLYUZQYKQBDLTK-UHFFFAOYSA-N
XLogP3.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.50
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of chloro-methyl-phenyl-λ3-iodane?
The IUPAC name of chloro-methyl-phenyl-λ3-iodane (CID 142040724) is chloro-methyl-phenyl-λ3-iodane.
What is the SMILES notation for chloro-methyl-phenyl-λ3-iodane?
The canonical SMILES for chloro-methyl-phenyl-λ3-iodane is CI(Cl)c1ccccc1.
What is the InChIKey of chloro-methyl-phenyl-λ3-iodane?
The InChIKey is XLYUZQYKQBDLTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClI/c1-9(8)7-5-3-2-4-6-7/h2-6H,1H3.
What are the key properties of chloro-methyl-phenyl-λ3-iodane?
chloro-methyl-phenyl-λ3-iodane has a molecular weight of 254.50 g/mol, XLogP of 3.15, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-methyl-phenyl-λ3-iodane is sourced from PubChem (CID 142040724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).