1,2,4,5-tetrachloro-3,6-bis(trichloromethyl)benzene

C8Cl10 — CID 623996

IUPAC1,2,4,5-tetrachloro-3,6-bis(trichloromethyl)benzene
SMILESClc1c(Cl)c(C(Cl)(Cl)Cl)c(Cl)c(Cl)c1C(Cl)(Cl)Cl
InChIInChI=1S/C8Cl10/c9-3-1(7(13,14)15)4(10)6(12)2(5(3)11)8(16,17)18
InChIKeyDTOMKKRROVKOGE-UHFFFAOYSA-N
MW450.62 g/mol
LogP7.95
Rot. Bonds

About 1,2,4,5-tetrachloro-3,6-bis(trichloromethyl)benzene

1,2,4,5-tetrachloro-3,6-bis(trichloromethyl)benzene (PubChem CID 623996) has the molecular formula C8Cl10 and a molecular weight of 450.62 g/mol. Its IUPAC name is 1,2,4,5-tetrachloro-3,6-bis(trichloromethyl)benzene.

Molecular Properties

Compound Name1,2,4,5-tetrachloro-3,6-bis(trichloromethyl)benzene
PubChem CID623996
Molecular FormulaC8Cl10
Molecular Weight450.62 g/mol
Exact Mass445.69
IUPAC Name1,2,4,5-tetrachloro-3,6-bis(trichloromethyl)benzene
SMILESClc1c(Cl)c(C(Cl)(Cl)Cl)c(Cl)c(Cl)c1C(Cl)(Cl)Cl
InChIInChI=1S/C8Cl10/c9-3-1(7(13,14)15)4(10)6(12)2(5(3)11)8(16,17)18
InChIKeyDTOMKKRROVKOGE-UHFFFAOYSA-N
XLogP7.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.62
LogP ≤ 57.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,2,4,5-tetrachloro-3,6-bis(trichloromethyl)benzene?
The IUPAC name of 1,2,4,5-tetrachloro-3,6-bis(trichloromethyl)benzene (CID 623996) is 1,2,4,5-tetrachloro-3,6-bis(trichloromethyl)benzene.
What is the SMILES notation for 1,2,4,5-tetrachloro-3,6-bis(trichloromethyl)benzene?
The canonical SMILES for 1,2,4,5-tetrachloro-3,6-bis(trichloromethyl)benzene is Clc1c(Cl)c(C(Cl)(Cl)Cl)c(Cl)c(Cl)c1C(Cl)(Cl)Cl.
What is the InChIKey of 1,2,4,5-tetrachloro-3,6-bis(trichloromethyl)benzene?
The InChIKey is DTOMKKRROVKOGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8Cl10/c9-3-1(7(13,14)15)4(10)6(12)2(5(3)11)8(16,17)18.
What are the key properties of 1,2,4,5-tetrachloro-3,6-bis(trichloromethyl)benzene?
1,2,4,5-tetrachloro-3,6-bis(trichloromethyl)benzene has a molecular weight of 450.62 g/mol, XLogP of 7.95, 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-bis(trichloromethyl)benzene is sourced from PubChem (CID 623996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).