1-bromo-2,3,4,5,6-pentachlorobenzene

C6BrCl5 — CID 3014710

IUPAC1-bromo-2,3,4,5,6-pentachlorobenzene
SMILESClc1c(Cl)c(Cl)c(Br)c(Cl)c1Cl
InChIInChI=1S/C6BrCl5/c7-1-2(8)4(10)6(12)5(11)3(1)9
InChIKeyTZHWGHMDCFAJPT-UHFFFAOYSA-N
MW329.24 g/mol
LogP5.72
Rot. Bonds

About 1-bromo-2,3,4,5,6-pentachlorobenzene

1-bromo-2,3,4,5,6-pentachlorobenzene (PubChem CID 3014710) has the molecular formula C6BrCl5 and a molecular weight of 329.24 g/mol. Its IUPAC name is 1-bromo-2,3,4,5,6-pentachlorobenzene.

Molecular Properties

Compound Name1-bromo-2,3,4,5,6-pentachlorobenzene
PubChem CID3014710
Molecular FormulaC6BrCl5
Molecular Weight329.24 g/mol
Exact Mass325.76
IUPAC Name1-bromo-2,3,4,5,6-pentachlorobenzene
SMILESClc1c(Cl)c(Cl)c(Br)c(Cl)c1Cl
InChIInChI=1S/C6BrCl5/c7-1-2(8)4(10)6(12)5(11)3(1)9
InChIKeyTZHWGHMDCFAJPT-UHFFFAOYSA-N
XLogP5.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.24
LogP ≤ 55.72
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-bromo-2,3,4,5,6-pentachlorobenzene?
The IUPAC name of 1-bromo-2,3,4,5,6-pentachlorobenzene (CID 3014710) is 1-bromo-2,3,4,5,6-pentachlorobenzene.
What is the SMILES notation for 1-bromo-2,3,4,5,6-pentachlorobenzene?
The canonical SMILES for 1-bromo-2,3,4,5,6-pentachlorobenzene is Clc1c(Cl)c(Cl)c(Br)c(Cl)c1Cl.
What is the InChIKey of 1-bromo-2,3,4,5,6-pentachlorobenzene?
The InChIKey is TZHWGHMDCFAJPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6BrCl5/c7-1-2(8)4(10)6(12)5(11)3(1)9.
What are the key properties of 1-bromo-2,3,4,5,6-pentachlorobenzene?
1-bromo-2,3,4,5,6-pentachlorobenzene has a molecular weight of 329.24 g/mol, XLogP of 5.72, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2,3,4,5,6-pentachlorobenzene is sourced from PubChem (CID 3014710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).