1-(chloromethyl)-2-iodobenzene-4-ide;tungsten

C7H5ClIW- — CID 59822811

IUPAC1-(chloromethyl)-2-iodobenzene-4-ide;tungsten
SMILESClCc1cc[c-]cc1I.[W]
InChIInChI=1S/C7H5ClI.W/c8-5-6-3-1-2-4-7(6)9;/h1,3-4H,5H2;/q-1;
InChIKeySOSHDJGZSMOWMP-UHFFFAOYSA-N
MW435.31 g/mol
LogP2.83
Rot. Bonds1

About 1-(chloromethyl)-2-iodobenzene-4-ide;tungsten

1-(chloromethyl)-2-iodobenzene-4-ide;tungsten (PubChem CID 59822811) has the molecular formula C7H5ClIW- and a molecular weight of 435.31 g/mol. Its IUPAC name is 1-(chloromethyl)-2-iodobenzene-4-ide;tungsten.

Molecular Properties

Compound Name1-(chloromethyl)-2-iodobenzene-4-ide;tungsten
PubChem CID59822811
Molecular FormulaC7H5ClIW-
Molecular Weight435.31 g/mol
Exact Mass434.86
IUPAC Name1-(chloromethyl)-2-iodobenzene-4-ide;tungsten
SMILESClCc1cc[c-]cc1I.[W]
InChIInChI=1S/C7H5ClI.W/c8-5-6-3-1-2-4-7(6)9;/h1,3-4H,5H2;/q-1;
InChIKeySOSHDJGZSMOWMP-UHFFFAOYSA-N
XLogP2.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.31
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(chloromethyl)-2-iodobenzene-4-ide;tungsten?
The IUPAC name of 1-(chloromethyl)-2-iodobenzene-4-ide;tungsten (CID 59822811) is 1-(chloromethyl)-2-iodobenzene-4-ide;tungsten.
What is the SMILES notation for 1-(chloromethyl)-2-iodobenzene-4-ide;tungsten?
The canonical SMILES for 1-(chloromethyl)-2-iodobenzene-4-ide;tungsten is ClCc1cc[c-]cc1I.[W].
What is the InChIKey of 1-(chloromethyl)-2-iodobenzene-4-ide;tungsten?
The InChIKey is SOSHDJGZSMOWMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClI.W/c8-5-6-3-1-2-4-7(6)9;/h1,3-4H,5H2;/q-1;.
What are the key properties of 1-(chloromethyl)-2-iodobenzene-4-ide;tungsten?
1-(chloromethyl)-2-iodobenzene-4-ide;tungsten has a molecular weight of 435.31 g/mol, XLogP of 2.83, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(chloromethyl)-2-iodobenzene-4-ide;tungsten is sourced from PubChem (CID 59822811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).