chlorobenzene;iodozinc(1+)

C6H4ClIZn — CID 4172048

IUPACchlorobenzene;iodozinc(1+)
SMILESClc1cc[c-]cc1.[Zn+]I
InChIInChI=1S/C6H4Cl.HI.Zn/c7-6-4-2-1-3-5-6;;/h2-5H;1H;/q-1;;+2/p-1
InChIKeyMUTQVHHYZWDPKQ-UHFFFAOYSA-M
MW303.85 g/mol
LogP3.02
Rot. Bonds

About chlorobenzene;iodozinc(1+)

chlorobenzene;iodozinc(1+) (PubChem CID 4172048) has the molecular formula C6H4ClIZn and a molecular weight of 303.85 g/mol. Its IUPAC name is chlorobenzene;iodozinc(1+).

Molecular Properties

Compound Namechlorobenzene;iodozinc(1+)
PubChem CID4172048
Molecular FormulaC6H4ClIZn
Molecular Weight303.85 g/mol
Exact Mass301.83
IUPAC Namechlorobenzene;iodozinc(1+)
SMILESClc1cc[c-]cc1.[Zn+]I
InChIInChI=1S/C6H4Cl.HI.Zn/c7-6-4-2-1-3-5-6;;/h2-5H;1H;/q-1;;+2/p-1
InChIKeyMUTQVHHYZWDPKQ-UHFFFAOYSA-M
XLogP3.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.85
LogP ≤ 53.02
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 chlorobenzene;iodozinc(1+)?
The IUPAC name of chlorobenzene;iodozinc(1+) (CID 4172048) is chlorobenzene;iodozinc(1+).
What is the SMILES notation for chlorobenzene;iodozinc(1+)?
The canonical SMILES for chlorobenzene;iodozinc(1+) is Clc1cc[c-]cc1.[Zn+]I.
What is the InChIKey of chlorobenzene;iodozinc(1+)?
The InChIKey is MUTQVHHYZWDPKQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H4Cl.HI.Zn/c7-6-4-2-1-3-5-6;;/h2-5H;1H;/q-1;;+2/p-1.
What are the key properties of chlorobenzene;iodozinc(1+)?
chlorobenzene;iodozinc(1+) has a molecular weight of 303.85 g/mol, XLogP of 3.02, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chlorobenzene;iodozinc(1+) is sourced from PubChem (CID 4172048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).