4-chloro-2-(chloromethyl)-1-iodobenzene

C7H5Cl2I — CID 58677341

IUPAC4-chloro-2-(chloromethyl)-1-iodobenzene
SMILESClCc1cc(Cl)ccc1I
InChIInChI=1S/C7H5Cl2I/c8-4-5-3-6(9)1-2-7(5)10/h1-3H,4H2
InChIKeyCAUFMOYGGBQQEG-UHFFFAOYSA-N
MW286.93 g/mol
LogP3.68
Rot. Bonds1

About 4-chloro-2-(chloromethyl)-1-iodobenzene

4-chloro-2-(chloromethyl)-1-iodobenzene (PubChem CID 58677341) has the molecular formula C7H5Cl2I and a molecular weight of 286.93 g/mol. Its IUPAC name is 4-chloro-2-(chloromethyl)-1-iodobenzene.

Molecular Properties

Compound Name4-chloro-2-(chloromethyl)-1-iodobenzene
PubChem CID58677341
Molecular FormulaC7H5Cl2I
Molecular Weight286.93 g/mol
Exact Mass285.88
IUPAC Name4-chloro-2-(chloromethyl)-1-iodobenzene
SMILESClCc1cc(Cl)ccc1I
InChIInChI=1S/C7H5Cl2I/c8-4-5-3-6(9)1-2-7(5)10/h1-3H,4H2
InChIKeyCAUFMOYGGBQQEG-UHFFFAOYSA-N
XLogP3.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.93
LogP ≤ 53.68
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 4-chloro-2-(chloromethyl)-1-iodobenzene?
The IUPAC name of 4-chloro-2-(chloromethyl)-1-iodobenzene (CID 58677341) is 4-chloro-2-(chloromethyl)-1-iodobenzene.
What is the SMILES notation for 4-chloro-2-(chloromethyl)-1-iodobenzene?
The canonical SMILES for 4-chloro-2-(chloromethyl)-1-iodobenzene is ClCc1cc(Cl)ccc1I.
What is the InChIKey of 4-chloro-2-(chloromethyl)-1-iodobenzene?
The InChIKey is CAUFMOYGGBQQEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5Cl2I/c8-4-5-3-6(9)1-2-7(5)10/h1-3H,4H2.
What are the key properties of 4-chloro-2-(chloromethyl)-1-iodobenzene?
4-chloro-2-(chloromethyl)-1-iodobenzene has a molecular weight of 286.93 g/mol, XLogP of 3.68, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(chloromethyl)-1-iodobenzene is sourced from PubChem (CID 58677341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).