1,3-dibromo-2,5-dichlorobenzene

C6H2Br2Cl2 — CID 14029667

IUPAC1,3-dibromo-2,5-dichlorobenzene
SMILESClc1cc(Br)c(Cl)c(Br)c1
InChIInChI=1S/C6H2Br2Cl2/c7-4-1-3(9)2-5(8)6(4)10/h1-2H
InChIKeyHKKSDHKJUSSWAI-UHFFFAOYSA-N
MW304.80 g/mol
LogP4.52
Rot. Bonds

About 1,3-dibromo-2,5-dichlorobenzene

1,3-dibromo-2,5-dichlorobenzene (PubChem CID 14029667) has the molecular formula C6H2Br2Cl2 and a molecular weight of 304.80 g/mol. Its IUPAC name is 1,3-dibromo-2,5-dichlorobenzene.

Molecular Properties

Compound Name1,3-dibromo-2,5-dichlorobenzene
PubChem CID14029667
Molecular FormulaC6H2Br2Cl2
Molecular Weight304.80 g/mol
Exact Mass301.79
IUPAC Name1,3-dibromo-2,5-dichlorobenzene
SMILESClc1cc(Br)c(Cl)c(Br)c1
InChIInChI=1S/C6H2Br2Cl2/c7-4-1-3(9)2-5(8)6(4)10/h1-2H
InChIKeyHKKSDHKJUSSWAI-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'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

1-Bromo-2,6-dichlorobenzene
CID 29568
1-Bromo-3-chlorobenzene
CID 7928
1-Bromo-2-chlorobenzene
CID 12754
Benzene, 1-bromo-3,5-dichloro-
CID 29766
2-Bromo-1,4-dichlorobenzene
CID 15033
1-Bromo-2,3-dichlorobenzene
CID 42066
1,3-Dibromo-2-chlorobenzene
CID 14029661
1,3-Dibromo-5-chlorobenzene
CID 84676
1,4-Dibromo-2-chlorobenzene
CID 2724603
1,3-Dibromo-2-chloro-5-fluorobenzene
CID 2724604
1,2-Dibromo-3-chlorobenzene
CID 13932014
1-Bromo-2,5-dichloro-3-fluorobenzene
CID 618513

Frequently Asked Questions

What is the IUPAC name of 1,3-dibromo-2,5-dichlorobenzene?
The IUPAC name of 1,3-dibromo-2,5-dichlorobenzene (CID 14029667) is 1,3-dibromo-2,5-dichlorobenzene.
What is the SMILES notation for 1,3-dibromo-2,5-dichlorobenzene?
The canonical SMILES for 1,3-dibromo-2,5-dichlorobenzene is Clc1cc(Br)c(Cl)c(Br)c1.
What is the InChIKey of 1,3-dibromo-2,5-dichlorobenzene?
The InChIKey is HKKSDHKJUSSWAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2Br2Cl2/c7-4-1-3(9)2-5(8)6(4)10/h1-2H.
What are the key properties of 1,3-dibromo-2,5-dichlorobenzene?
1,3-dibromo-2,5-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 1,3-dibromo-2,5-dichlorobenzene is sourced from PubChem (CID 14029667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).