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

C7H4Cl4 — CID 13871

IUPAC1,2,3,4-tetrachloro-5-methylbenzene
SMILESCc1cc(Cl)c(Cl)c(Cl)c1Cl
InChIInChI=1S/C7H4Cl4/c1-3-2-4(8)6(10)7(11)5(3)9/h2H,1H3
InChIKeyZLELNPSBDOUFHN-UHFFFAOYSA-N
MW229.92 g/mol
LogP4.61
Rot. Bonds

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

1,2,3,4-tetrachloro-5-methylbenzene (PubChem CID 13871) has the molecular formula C7H4Cl4 and a molecular weight of 229.92 g/mol. Its IUPAC name is 1,2,3,4-tetrachloro-5-methylbenzene.

Molecular Properties

Compound Name1,2,3,4-tetrachloro-5-methylbenzene
PubChem CID13871
Molecular FormulaC7H4Cl4
Molecular Weight229.92 g/mol
Exact Mass227.91
IUPAC Name1,2,3,4-tetrachloro-5-methylbenzene
SMILESCc1cc(Cl)c(Cl)c(Cl)c1Cl
InChIInChI=1S/C7H4Cl4/c1-3-2-4(8)6(10)7(11)5(3)9/h2H,1H3
InChIKeyZLELNPSBDOUFHN-UHFFFAOYSA-N
XLogP4.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.92
LogP ≤ 54.61
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'}

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetrachloro-5-methylbenzene?
The IUPAC name of 1,2,3,4-tetrachloro-5-methylbenzene (CID 13871) is 1,2,3,4-tetrachloro-5-methylbenzene.
What is the SMILES notation for 1,2,3,4-tetrachloro-5-methylbenzene?
The canonical SMILES for 1,2,3,4-tetrachloro-5-methylbenzene is Cc1cc(Cl)c(Cl)c(Cl)c1Cl.
What is the InChIKey of 1,2,3,4-tetrachloro-5-methylbenzene?
The InChIKey is ZLELNPSBDOUFHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4Cl4/c1-3-2-4(8)6(10)7(11)5(3)9/h2H,1H3.
What are the key properties of 1,2,3,4-tetrachloro-5-methylbenzene?
1,2,3,4-tetrachloro-5-methylbenzene has a molecular weight of 229.92 g/mol, XLogP of 4.61, 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-methylbenzene is sourced from PubChem (CID 13871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).