1,3-dibromo-2,4,5,6-tetrachlorobenzene

C6Br2Cl4 — CID 5044590

IUPAC1,3-dibromo-2,4,5,6-tetrachlorobenzene
SMILESClc1c(Cl)c(Br)c(Cl)c(Br)c1Cl
InChIInChI=1S/C6Br2Cl4/c7-1-3(9)2(8)5(11)6(12)4(1)10
InChIKeyQITMUWMNQDAYON-UHFFFAOYSA-N
MW373.69 g/mol
LogP5.83
Rot. Bonds

About 1,3-dibromo-2,4,5,6-tetrachlorobenzene

1,3-dibromo-2,4,5,6-tetrachlorobenzene (PubChem CID 5044590) has the molecular formula C6Br2Cl4 and a molecular weight of 373.69 g/mol. Its IUPAC name is 1,3-dibromo-2,4,5,6-tetrachlorobenzene.

Molecular Properties

Compound Name1,3-dibromo-2,4,5,6-tetrachlorobenzene
PubChem CID5044590
Molecular FormulaC6Br2Cl4
Molecular Weight373.69 g/mol
Exact Mass369.71
IUPAC Name1,3-dibromo-2,4,5,6-tetrachlorobenzene
SMILESClc1c(Cl)c(Br)c(Cl)c(Br)c1Cl
InChIInChI=1S/C6Br2Cl4/c7-1-3(9)2(8)5(11)6(12)4(1)10
InChIKeyQITMUWMNQDAYON-UHFFFAOYSA-N
XLogP5.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.69
LogP ≤ 55.83
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

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CID 184107
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CID 4120010
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CID 4162868
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CID 517976
CID 517976
CID 122453
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CID 22311457
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CID 14029676
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CID 581714
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CID 628565
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Frequently Asked Questions

What is the IUPAC name of 1,3-dibromo-2,4,5,6-tetrachlorobenzene?
The IUPAC name of 1,3-dibromo-2,4,5,6-tetrachlorobenzene (CID 5044590) is 1,3-dibromo-2,4,5,6-tetrachlorobenzene.
What is the SMILES notation for 1,3-dibromo-2,4,5,6-tetrachlorobenzene?
The canonical SMILES for 1,3-dibromo-2,4,5,6-tetrachlorobenzene is Clc1c(Cl)c(Br)c(Cl)c(Br)c1Cl.
What is the InChIKey of 1,3-dibromo-2,4,5,6-tetrachlorobenzene?
The InChIKey is QITMUWMNQDAYON-UHFFFAOYSA-N. The full InChI is InChI=1S/C6Br2Cl4/c7-1-3(9)2(8)5(11)6(12)4(1)10.
What are the key properties of 1,3-dibromo-2,4,5,6-tetrachlorobenzene?
1,3-dibromo-2,4,5,6-tetrachlorobenzene has a molecular weight of 373.69 g/mol, XLogP of 5.83, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dibromo-2,4,5,6-tetrachlorobenzene is sourced from PubChem (CID 5044590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).