1,2,4,5-tetrachloro-3,6-dimethylbenzene

C8H6Cl4 — CID 13411

IUPAC1,2,4,5-tetrachloro-3,6-dimethylbenzene
SMILESCc1c(Cl)c(Cl)c(C)c(Cl)c1Cl
InChIInChI=1S/C8H6Cl4/c1-3-5(9)7(11)4(2)8(12)6(3)10/h1-2H3
InChIKeyCTSQZGJZQUVGBQ-UHFFFAOYSA-N
MW243.95 g/mol
LogP4.92
Rot. Bonds

About 1,2,4,5-tetrachloro-3,6-dimethylbenzene

1,2,4,5-tetrachloro-3,6-dimethylbenzene (PubChem CID 13411) has the molecular formula C8H6Cl4 and a molecular weight of 243.95 g/mol. Its IUPAC name is 1,2,4,5-tetrachloro-3,6-dimethylbenzene.

Molecular Properties

Compound Name1,2,4,5-tetrachloro-3,6-dimethylbenzene
PubChem CID13411
Molecular FormulaC8H6Cl4
Molecular Weight243.95 g/mol
Exact Mass241.92
IUPAC Name1,2,4,5-tetrachloro-3,6-dimethylbenzene
SMILESCc1c(Cl)c(Cl)c(C)c(Cl)c1Cl
InChIInChI=1S/C8H6Cl4/c1-3-5(9)7(11)4(2)8(12)6(3)10/h1-2H3
InChIKeyCTSQZGJZQUVGBQ-UHFFFAOYSA-N
XLogP4.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.95
LogP ≤ 54.92
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

Octachlorostyrene
CID 34466
2,3,6-Trichlorotoluene
CID 16378
2,3,4,5,6-Pentachlorotoluene
CID 13412
Alpha,alpha',2,3,5,6-hexachloro-4-xylene
CID 66179
Tetrachloro-m-xylene
CID 70139
Tetrachloro-o-xylene, (solid)
CID 522883
1,2,3,5-Tetrachloro-4,6-bis(chloromethyl)benzene
CID 70809
Pentachloroethylbenzene
CID 11810
p-Xylene, alpha,alpha,alpha',alpha',2,3,5,6-octachloro-
CID 137442
2,3,6-Trichloro-4-tert-butyltoluene
CID 173806
Hexachloro-p-xylene
CID 214321
1,2,3,4-Tetrachloro-5-methylbenzene
CID 13871

Frequently Asked Questions

What is the IUPAC name of 1,2,4,5-tetrachloro-3,6-dimethylbenzene?
The IUPAC name of 1,2,4,5-tetrachloro-3,6-dimethylbenzene (CID 13411) is 1,2,4,5-tetrachloro-3,6-dimethylbenzene.
What is the SMILES notation for 1,2,4,5-tetrachloro-3,6-dimethylbenzene?
The canonical SMILES for 1,2,4,5-tetrachloro-3,6-dimethylbenzene is Cc1c(Cl)c(Cl)c(C)c(Cl)c1Cl.
What is the InChIKey of 1,2,4,5-tetrachloro-3,6-dimethylbenzene?
The InChIKey is CTSQZGJZQUVGBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Cl4/c1-3-5(9)7(11)4(2)8(12)6(3)10/h1-2H3.
What are the key properties of 1,2,4,5-tetrachloro-3,6-dimethylbenzene?
1,2,4,5-tetrachloro-3,6-dimethylbenzene has a molecular weight of 243.95 g/mol, XLogP of 4.92, 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-tetrachloro-3,6-dimethylbenzene is sourced from PubChem (CID 13411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).