benzene;iodocopper

C6H5CuI- — CID 134850269

IUPACbenzene;iodocopper
SMILES[Cu]I.[c-]1ccccc1
InChIInChI=1S/C6H5.Cu.HI/c1-2-4-6-5-3-1;;/h1-5H;;1H/q-1;+1;/p-1
InChIKeyAUVBCASRSYJGSV-UHFFFAOYSA-M
MW267.56 g/mol
LogP2.37
Rot. Bonds

About benzene;iodocopper

benzene;iodocopper (PubChem CID 134850269) has the molecular formula C6H5CuI- and a molecular weight of 267.56 g/mol. Its IUPAC name is benzene;iodocopper.

Molecular Properties

Compound Namebenzene;iodocopper
PubChem CID134850269
Molecular FormulaC6H5CuI-
Molecular Weight267.56 g/mol
Exact Mass266.87
IUPAC Namebenzene;iodocopper
SMILES[Cu]I.[c-]1ccccc1
InChIInChI=1S/C6H5.Cu.HI/c1-2-4-6-5-3-1;;/h1-5H;;1H/q-1;+1;/p-1
InChIKeyAUVBCASRSYJGSV-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 ≤ 500267.56
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': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of benzene;iodocopper?
The IUPAC name of benzene;iodocopper (CID 134850269) is benzene;iodocopper.
What is the SMILES notation for benzene;iodocopper?
The canonical SMILES for benzene;iodocopper is [Cu]I.[c-]1ccccc1.
What is the InChIKey of benzene;iodocopper?
The InChIKey is AUVBCASRSYJGSV-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H5.Cu.HI/c1-2-4-6-5-3-1;;/h1-5H;;1H/q-1;+1;/p-1.
What are the key properties of benzene;iodocopper?
benzene;iodocopper has a molecular weight of 267.56 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;iodocopper is sourced from PubChem (CID 134850269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).