1,5-dibromo-2,3,4-trichlorobenzene

C6HBr2Cl3 — CID 14029676

IUPAC1,5-dibromo-2,3,4-trichlorobenzene
SMILESClc1c(Br)cc(Br)c(Cl)c1Cl
InChIInChI=1S/C6HBr2Cl3/c7-2-1-3(8)5(10)6(11)4(2)9/h1H
InChIKeyMMJUABSMDXVNPI-UHFFFAOYSA-N
MW339.24 g/mol
LogP5.17
Rot. Bonds

About 1,5-dibromo-2,3,4-trichlorobenzene

1,5-dibromo-2,3,4-trichlorobenzene (PubChem CID 14029676) has the molecular formula C6HBr2Cl3 and a molecular weight of 339.24 g/mol. Its IUPAC name is 1,5-dibromo-2,3,4-trichlorobenzene.

Molecular Properties

Compound Name1,5-dibromo-2,3,4-trichlorobenzene
PubChem CID14029676
Molecular FormulaC6HBr2Cl3
Molecular Weight339.24 g/mol
Exact Mass335.75
IUPAC Name1,5-dibromo-2,3,4-trichlorobenzene
SMILESClc1c(Br)cc(Br)c(Cl)c1Cl
InChIInChI=1S/C6HBr2Cl3/c7-2-1-3(8)5(10)6(11)4(2)9/h1H
InChIKeyMMJUABSMDXVNPI-UHFFFAOYSA-N
XLogP5.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.24
LogP ≤ 55.17
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 1,5-dibromo-2,3,4-trichlorobenzene?
The IUPAC name of 1,5-dibromo-2,3,4-trichlorobenzene (CID 14029676) is 1,5-dibromo-2,3,4-trichlorobenzene.
What is the SMILES notation for 1,5-dibromo-2,3,4-trichlorobenzene?
The canonical SMILES for 1,5-dibromo-2,3,4-trichlorobenzene is Clc1c(Br)cc(Br)c(Cl)c1Cl.
What is the InChIKey of 1,5-dibromo-2,3,4-trichlorobenzene?
The InChIKey is MMJUABSMDXVNPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6HBr2Cl3/c7-2-1-3(8)5(10)6(11)4(2)9/h1H.
What are the key properties of 1,5-dibromo-2,3,4-trichlorobenzene?
1,5-dibromo-2,3,4-trichlorobenzene has a molecular weight of 339.24 g/mol, XLogP of 5.17, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dibromo-2,3,4-trichlorobenzene is sourced from PubChem (CID 14029676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).