benzene;iodozinc(1+)

C6H5IZn — CID 4117658

IUPACbenzene;iodozinc(1+)
SMILES[Zn+]I.[c-]1ccccc1
InChIInChI=1S/C6H5.HI.Zn/c1-2-4-6-5-3-1;;/h1-5H;1H;/q-1;;+2/p-1
InChIKeyQXXJGZQLPDQOPF-UHFFFAOYSA-M
MW269.40 g/mol
LogP2.37
Rot. Bonds

About benzene;iodozinc(1+)

benzene;iodozinc(1+) (PubChem CID 4117658) has the molecular formula C6H5IZn and a molecular weight of 269.40 g/mol. Its IUPAC name is benzene;iodozinc(1+).

Molecular Properties

Compound Namebenzene;iodozinc(1+)
PubChem CID4117658
Molecular FormulaC6H5IZn
Molecular Weight269.40 g/mol
Exact Mass267.87
IUPAC Namebenzene;iodozinc(1+)
SMILES[Zn+]I.[c-]1ccccc1
InChIInChI=1S/C6H5.HI.Zn/c1-2-4-6-5-3-1;;/h1-5H;1H;/q-1;;+2/p-1
InChIKeyQXXJGZQLPDQOPF-UHFFFAOYSA-M
XLogP2.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.40
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of benzene;iodozinc(1+)?
The IUPAC name of benzene;iodozinc(1+) (CID 4117658) is benzene;iodozinc(1+).
What is the SMILES notation for benzene;iodozinc(1+)?
The canonical SMILES for benzene;iodozinc(1+) is [Zn+]I.[c-]1ccccc1.
What is the InChIKey of benzene;iodozinc(1+)?
The InChIKey is QXXJGZQLPDQOPF-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H5.HI.Zn/c1-2-4-6-5-3-1;;/h1-5H;1H;/q-1;;+2/p-1.
What are the key properties of benzene;iodozinc(1+)?
benzene;iodozinc(1+) has a molecular weight of 269.40 g/mol, XLogP of 2.37, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;iodozinc(1+) is sourced from PubChem (CID 4117658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).