1,2,3,4-tetrabromo-5,6-dichlorobenzene

C6Br4Cl2 — CID 4162868

IUPAC1,2,3,4-tetrabromo-5,6-dichlorobenzene
SMILESClc1c(Cl)c(Br)c(Br)c(Br)c1Br
InChIInChI=1S/C6Br4Cl2/c7-1-2(8)4(10)6(12)5(11)3(1)9
InChIKeyYYFANMZCDXZWRE-UHFFFAOYSA-N
MW462.59 g/mol
LogP6.04
Rot. Bonds

About 1,2,3,4-tetrabromo-5,6-dichlorobenzene

1,2,3,4-tetrabromo-5,6-dichlorobenzene (PubChem CID 4162868) has the molecular formula C6Br4Cl2 and a molecular weight of 462.59 g/mol. Its IUPAC name is 1,2,3,4-tetrabromo-5,6-dichlorobenzene.

Molecular Properties

Compound Name1,2,3,4-tetrabromo-5,6-dichlorobenzene
PubChem CID4162868
Molecular FormulaC6Br4Cl2
Molecular Weight462.59 g/mol
Exact Mass457.61
IUPAC Name1,2,3,4-tetrabromo-5,6-dichlorobenzene
SMILESClc1c(Cl)c(Br)c(Br)c(Br)c1Br
InChIInChI=1S/C6Br4Cl2/c7-1-2(8)4(10)6(12)5(11)3(1)9
InChIKeyYYFANMZCDXZWRE-UHFFFAOYSA-N
XLogP6.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.59
LogP ≤ 56.04
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 1,2,3,4-tetrabromo-5,6-dichlorobenzene?
The IUPAC name of 1,2,3,4-tetrabromo-5,6-dichlorobenzene (CID 4162868) is 1,2,3,4-tetrabromo-5,6-dichlorobenzene.
What is the SMILES notation for 1,2,3,4-tetrabromo-5,6-dichlorobenzene?
The canonical SMILES for 1,2,3,4-tetrabromo-5,6-dichlorobenzene is Clc1c(Cl)c(Br)c(Br)c(Br)c1Br.
What is the InChIKey of 1,2,3,4-tetrabromo-5,6-dichlorobenzene?
The InChIKey is YYFANMZCDXZWRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6Br4Cl2/c7-1-2(8)4(10)6(12)5(11)3(1)9.
What are the key properties of 1,2,3,4-tetrabromo-5,6-dichlorobenzene?
1,2,3,4-tetrabromo-5,6-dichlorobenzene has a molecular weight of 462.59 g/mol, XLogP of 6.04, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetrabromo-5,6-dichlorobenzene is sourced from PubChem (CID 4162868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).