iodobenzene dichloride

C6H5Cl2I-2 — CID 13166207

IUPACiodobenzene dichloride
SMILESIc1ccccc1.[Cl-].[Cl-]
InChIInChI=1S/C6H5I.2ClH/c7-6-4-2-1-3-5-6;;/h1-5H;2*1H/p-2
InChIKeyUYULBUPHXKLNMO-UHFFFAOYSA-L
MW274.92 g/mol
LogP-3.70
Rot. Bonds

About iodobenzene dichloride

iodobenzene dichloride (PubChem CID 13166207) has the molecular formula C6H5Cl2I-2 and a molecular weight of 274.92 g/mol. Its IUPAC name is iodobenzene dichloride.

Molecular Properties

Compound Nameiodobenzene dichloride
PubChem CID13166207
Molecular FormulaC6H5Cl2I-2
Molecular Weight274.92 g/mol
Exact Mass273.88
IUPAC Nameiodobenzene dichloride
SMILESIc1ccccc1.[Cl-].[Cl-]
InChIInChI=1S/C6H5I.2ClH/c7-6-4-2-1-3-5-6;;/h1-5H;2*1H/p-2
InChIKeyUYULBUPHXKLNMO-UHFFFAOYSA-L
XLogP-3.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.92
LogP ≤ 5-3.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

iodobenzene;methane
CID 161271441
hypoiodous acid;iodobenzene;hydrate
CID 172828538
ethane;iodobenzene;methane;molecular hydrogen
CID 161119948
hydron;iodobenzene;hexafluorophosphate
CID 174937039
acetaldehyde;iodobenzene
CID 159105616
iodobenzene;sulfuryl dichloride
CID 87648200
CID 172858912
CID 172858912
iodobenzene;sulfuric acid
CID 174810699
iodobenzene;propan-2-one
CID 159413459
iodobenzene;1,3,5-trimethylbenzene;hydrobromide
CID 175079627
iodobenzene;propanal
CID 174371792
iodobenzene;4-methoxypyridine
CID 142130779

Frequently Asked Questions

What is the IUPAC name of iodobenzene dichloride?
The IUPAC name of iodobenzene dichloride (CID 13166207) is iodobenzene dichloride.
What is the SMILES notation for iodobenzene dichloride?
The canonical SMILES for iodobenzene dichloride is Ic1ccccc1.[Cl-].[Cl-].
What is the InChIKey of iodobenzene dichloride?
The InChIKey is UYULBUPHXKLNMO-UHFFFAOYSA-L. The full InChI is InChI=1S/C6H5I.2ClH/c7-6-4-2-1-3-5-6;;/h1-5H;2*1H/p-2.
What are the key properties of iodobenzene dichloride?
iodobenzene dichloride has a molecular weight of 274.92 g/mol, XLogP of -3.70, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for iodobenzene dichloride is sourced from PubChem (CID 13166207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).