1,2,4,5-tetrachlorobenzene

C6H2Cl4 — CID 7270

IUPAC1,2,4,5-tetrachlorobenzene
SMILESClc1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C6H2Cl4/c7-3-1-4(8)6(10)2-5(3)9/h1-2H
InChIKeyJHBKHLUZVFWLAG-UHFFFAOYSA-N
MW215.89 g/mol
LogP4.30
Rot. Bonds

About 1,2,4,5-tetrachlorobenzene

1,2,4,5-tetrachlorobenzene (PubChem CID 7270) has the molecular formula C6H2Cl4 and a molecular weight of 215.89 g/mol. Its IUPAC name is 1,2,4,5-tetrachlorobenzene.

Molecular Properties

Compound Name1,2,4,5-tetrachlorobenzene
PubChem CID7270
Molecular FormulaC6H2Cl4
Molecular Weight215.89 g/mol
Exact Mass213.89
IUPAC Name1,2,4,5-tetrachlorobenzene
SMILESClc1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C6H2Cl4/c7-3-1-4(8)6(10)2-5(3)9/h1-2H
InChIKeyJHBKHLUZVFWLAG-UHFFFAOYSA-N
XLogP4.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.89
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

Hexachlorobenzene
CID 8370
1,2-Dichlorobenzene
CID 7239
Pentachlorobenzene
CID 11855
1,3,5-Trichlorobenzene
CID 7950
1,2,4-Trichlorobenzene
CID 13
1,2,3-Trichlorobenzene
CID 6895
1,2,3,5-Tetrachlorobenzene
CID 12468
1,2,3,4-Tetrachlorobenzene
CID 12463
1,2-Dichlorobenzene-D4
CID 519913
1-Iodo-2,3,5,6-tetrachlorobenzene
CID 520590
1,2,3-Trichloro-4-iodobenzene
CID 188015
1,2,3,5-Tetrachloro-4-fluorobenzene
CID 13529069

Frequently Asked Questions

What is the IUPAC name of 1,2,4,5-tetrachlorobenzene?
The IUPAC name of 1,2,4,5-tetrachlorobenzene (CID 7270) is 1,2,4,5-tetrachlorobenzene.
What is the SMILES notation for 1,2,4,5-tetrachlorobenzene?
The canonical SMILES for 1,2,4,5-tetrachlorobenzene is Clc1cc(Cl)c(Cl)cc1Cl.
What is the InChIKey of 1,2,4,5-tetrachlorobenzene?
The InChIKey is JHBKHLUZVFWLAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2Cl4/c7-3-1-4(8)6(10)2-5(3)9/h1-2H.
What are the key properties of 1,2,4,5-tetrachlorobenzene?
1,2,4,5-tetrachlorobenzene has a molecular weight of 215.89 g/mol, XLogP of 4.30, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4,5-tetrachlorobenzene is sourced from PubChem (CID 7270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).