1,2-dibromo-4,5-dichlorobenzene

C6H2Br2Cl2 — CID 4137564

IUPAC1,2-dibromo-4,5-dichlorobenzene
SMILESClc1cc(Br)c(Br)cc1Cl
InChIInChI=1S/C6H2Br2Cl2/c7-3-1-5(9)6(10)2-4(3)8/h1-2H
InChIKeyXMLDCMHIIUWWPP-UHFFFAOYSA-N
MW304.80 g/mol
LogP4.52
Rot. Bonds

About 1,2-dibromo-4,5-dichlorobenzene

1,2-dibromo-4,5-dichlorobenzene (PubChem CID 4137564) has the molecular formula C6H2Br2Cl2 and a molecular weight of 304.80 g/mol. Its IUPAC name is 1,2-dibromo-4,5-dichlorobenzene.

Molecular Properties

Compound Name1,2-dibromo-4,5-dichlorobenzene
PubChem CID4137564
Molecular FormulaC6H2Br2Cl2
Molecular Weight304.80 g/mol
Exact Mass301.79
IUPAC Name1,2-dibromo-4,5-dichlorobenzene
SMILESClc1cc(Br)c(Br)cc1Cl
InChIInChI=1S/C6H2Br2Cl2/c7-3-1-5(9)6(10)2-4(3)8/h1-2H
InChIKeyXMLDCMHIIUWWPP-UHFFFAOYSA-N
XLogP4.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.80
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,2-dibromo-4,5-dichlorobenzene?
The IUPAC name of 1,2-dibromo-4,5-dichlorobenzene (CID 4137564) is 1,2-dibromo-4,5-dichlorobenzene.
What is the SMILES notation for 1,2-dibromo-4,5-dichlorobenzene?
The canonical SMILES for 1,2-dibromo-4,5-dichlorobenzene is Clc1cc(Br)c(Br)cc1Cl.
What is the InChIKey of 1,2-dibromo-4,5-dichlorobenzene?
The InChIKey is XMLDCMHIIUWWPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2Br2Cl2/c7-3-1-5(9)6(10)2-4(3)8/h1-2H.
What are the key properties of 1,2-dibromo-4,5-dichlorobenzene?
1,2-dibromo-4,5-dichlorobenzene has a molecular weight of 304.80 g/mol, XLogP of 4.52, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dibromo-4,5-dichlorobenzene is sourced from PubChem (CID 4137564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).