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

C6Br3Cl3 — CID 22311457

IUPAC1,3,5-tribromo-2,4,6-trichlorobenzene
SMILESClc1c(Br)c(Cl)c(Br)c(Cl)c1Br
InChIInChI=1S/C6Br3Cl3/c7-1-4(10)2(8)6(12)3(9)5(1)11
InChIKeyQOBBHAMPBAWXQF-UHFFFAOYSA-N
MW418.14 g/mol
LogP5.93
Rot. Bonds

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

1,3,5-tribromo-2,4,6-trichlorobenzene (PubChem CID 22311457) has the molecular formula C6Br3Cl3 and a molecular weight of 418.14 g/mol. Its IUPAC name is 1,3,5-tribromo-2,4,6-trichlorobenzene.

Molecular Properties

Compound Name1,3,5-tribromo-2,4,6-trichlorobenzene
PubChem CID22311457
Molecular FormulaC6Br3Cl3
Molecular Weight418.14 g/mol
Exact Mass413.66
IUPAC Name1,3,5-tribromo-2,4,6-trichlorobenzene
SMILESClc1c(Br)c(Cl)c(Br)c(Cl)c1Br
InChIInChI=1S/C6Br3Cl3/c7-1-4(10)2(8)6(12)3(9)5(1)11
InChIKeyQOBBHAMPBAWXQF-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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Related Compounds

1,2,3-Tribromo-4,5,6-trichloro-benzene
CID 4120010
1,2,3,4,5-Pentabromo-6-chlorobenzene
CID 2776021
Benzene, 1,3-dibromo-2,4,5,6-tetrachloro-
CID 5044590
2,6-Dibromo-3,5-dichloro-4-fluoroiodobenzene
CID 635049
3,5-Difluoro-2,4,6-trichlorobromobenzene
CID 23431777
1-Bromo-2,6-dichloro-3,4,5-trifluorobenzene
CID 130699975
3,5-Dibromo-2,6-dichlorofluorobenzene
CID 10969348
1,3-Dibromo-2,4-dichloro-5-fluorobenzene
CID 44891205
2,4-Dibromo-3,5-dichlorofluorobenzene
CID 50997826
1-Bromo-2,4-dichloro-3,5,6-trifluorobenzene
CID 118836073
1,2,3-Tribromo-4,6-dichloro-5-fluorobenzene
CID 169337134
1,3-Dibromo-2,4-dichlorobenzene
CID 14029666

Frequently Asked Questions

What is the IUPAC name of 1,3,5-tribromo-2,4,6-trichlorobenzene?
The IUPAC name of 1,3,5-tribromo-2,4,6-trichlorobenzene (CID 22311457) is 1,3,5-tribromo-2,4,6-trichlorobenzene.
What is the SMILES notation for 1,3,5-tribromo-2,4,6-trichlorobenzene?
The canonical SMILES for 1,3,5-tribromo-2,4,6-trichlorobenzene is Clc1c(Br)c(Cl)c(Br)c(Cl)c1Br.
What is the InChIKey of 1,3,5-tribromo-2,4,6-trichlorobenzene?
The InChIKey is QOBBHAMPBAWXQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6Br3Cl3/c7-1-4(10)2(8)6(12)3(9)5(1)11.
What are the key properties of 1,3,5-tribromo-2,4,6-trichlorobenzene?
1,3,5-tribromo-2,4,6-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 1,3,5-tribromo-2,4,6-trichlorobenzene is sourced from PubChem (CID 22311457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).