1,2,3,4-tetrachloro-5-iodobenzene

C6HCl4I — CID 2802859

IUPAC1,2,3,4-tetrachloro-5-iodobenzene
SMILESClc1cc(I)c(Cl)c(Cl)c1Cl
InChIInChI=1S/C6HCl4I/c7-2-1-3(11)5(9)6(10)4(2)8/h1H
InChIKeyCSBMIAKSTBBXEN-UHFFFAOYSA-N
MW341.79 g/mol
LogP4.90
Rot. Bonds

About 1,2,3,4-tetrachloro-5-iodobenzene

1,2,3,4-tetrachloro-5-iodobenzene (PubChem CID 2802859) has the molecular formula C6HCl4I and a molecular weight of 341.79 g/mol. Its IUPAC name is 1,2,3,4-tetrachloro-5-iodobenzene.

Molecular Properties

Compound Name1,2,3,4-tetrachloro-5-iodobenzene
PubChem CID2802859
Molecular FormulaC6HCl4I
Molecular Weight341.79 g/mol
Exact Mass339.79
IUPAC Name1,2,3,4-tetrachloro-5-iodobenzene
SMILESClc1cc(I)c(Cl)c(Cl)c1Cl
InChIInChI=1S/C6HCl4I/c7-2-1-3(11)5(9)6(10)4(2)8/h1H
InChIKeyCSBMIAKSTBBXEN-UHFFFAOYSA-N
XLogP4.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.79
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1,2,3,4,5-pentachlorobenzene;sulfane
CID 20531825
1-chloro-2,4,5-triiodobenzene
CID 102056311
1,2,3,4,5-pentachlorobenzene;phenol
CID 159935544
1,2,3,4,5,6,7-heptachlorobiphenylene
CID 101459964
formic acid;1,2,3,4,5-pentachlorobenzene
CID 159674578
sodium 2,3,4,5-tetrachlorophenolate
CID 23677949
2,3,4,5,6-pentachlorophenol;2,3,4,6-tetrachlorophenol
CID 158166722
1-bromo-2,5-dichloro-3-iodobenzene
CID 118797013
(2,3,4,5-tetrachlorophenyl)phosphinous acid
CID 139832063
1,2,3,4,5,6,7,9,10-nonachloroanthracene
CID 90685871
1,2,3,4-tetrachloro-5-methoxybenzene
CID 13649
1,2,3,4-tetrachloro-5-phenoxybenzene
CID 23274708

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetrachloro-5-iodobenzene?
The IUPAC name of 1,2,3,4-tetrachloro-5-iodobenzene (CID 2802859) is 1,2,3,4-tetrachloro-5-iodobenzene.
What is the SMILES notation for 1,2,3,4-tetrachloro-5-iodobenzene?
The canonical SMILES for 1,2,3,4-tetrachloro-5-iodobenzene is Clc1cc(I)c(Cl)c(Cl)c1Cl.
What is the InChIKey of 1,2,3,4-tetrachloro-5-iodobenzene?
The InChIKey is CSBMIAKSTBBXEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6HCl4I/c7-2-1-3(11)5(9)6(10)4(2)8/h1H.
What are the key properties of 1,2,3,4-tetrachloro-5-iodobenzene?
1,2,3,4-tetrachloro-5-iodobenzene has a molecular weight of 341.79 g/mol, XLogP of 4.90, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetrachloro-5-iodobenzene is sourced from PubChem (CID 2802859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).