1,2,3-tribromo-4,5,6-trichlorobenzene

C6Br3Cl3 — CID 4120010

IUPAC1,2,3-tribromo-4,5,6-trichlorobenzene
SMILESClc1c(Cl)c(Br)c(Br)c(Br)c1Cl
InChIInChI=1S/C6Br3Cl3/c7-1-2(8)4(10)6(12)5(11)3(1)9
InChIKeyIHTCQYOMBIVIBF-UHFFFAOYSA-N
MW418.14 g/mol
LogP5.93
Rot. Bonds

About 1,2,3-tribromo-4,5,6-trichlorobenzene

1,2,3-tribromo-4,5,6-trichlorobenzene (PubChem CID 4120010) has the molecular formula C6Br3Cl3 and a molecular weight of 418.14 g/mol. Its IUPAC name is 1,2,3-tribromo-4,5,6-trichlorobenzene.

Molecular Properties

Compound Name1,2,3-tribromo-4,5,6-trichlorobenzene
PubChem CID4120010
Molecular FormulaC6Br3Cl3
Molecular Weight418.14 g/mol
Exact Mass413.66
IUPAC Name1,2,3-tribromo-4,5,6-trichlorobenzene
SMILESClc1c(Cl)c(Br)c(Br)c(Br)c1Cl
InChIInChI=1S/C6Br3Cl3/c7-1-2(8)4(10)6(12)5(11)3(1)9
InChIKeyIHTCQYOMBIVIBF-UHFFFAOYSA-N
XLogP5.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.14
LogP ≤ 55.93
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-tribromo-4,5,6-trichlorobenzene?
The IUPAC name of 1,2,3-tribromo-4,5,6-trichlorobenzene (CID 4120010) is 1,2,3-tribromo-4,5,6-trichlorobenzene.
What is the SMILES notation for 1,2,3-tribromo-4,5,6-trichlorobenzene?
The canonical SMILES for 1,2,3-tribromo-4,5,6-trichlorobenzene is Clc1c(Cl)c(Br)c(Br)c(Br)c1Cl.
What is the InChIKey of 1,2,3-tribromo-4,5,6-trichlorobenzene?
The InChIKey is IHTCQYOMBIVIBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6Br3Cl3/c7-1-2(8)4(10)6(12)5(11)3(1)9.
What are the key properties of 1,2,3-tribromo-4,5,6-trichlorobenzene?
1,2,3-tribromo-4,5,6-trichlorobenzene has a molecular weight of 418.14 g/mol, XLogP of 5.93, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-tribromo-4,5,6-trichlorobenzene is sourced from PubChem (CID 4120010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).