1,3-dibromo-2-chlorobenzene

C6H3Br2Cl — CID 14029661

IUPAC1,3-dibromo-2-chlorobenzene
SMILESClc1c(Br)cccc1Br
InChIInChI=1S/C6H3Br2Cl/c7-4-2-1-3-5(8)6(4)9/h1-3H
InChIKeyIRPWVEBIMPXCAZ-UHFFFAOYSA-N
MW270.35 g/mol
LogP3.87
Rot. Bonds

About 1,3-dibromo-2-chlorobenzene

1,3-dibromo-2-chlorobenzene (PubChem CID 14029661) has the molecular formula C6H3Br2Cl and a molecular weight of 270.35 g/mol. Its IUPAC name is 1,3-dibromo-2-chlorobenzene.

Molecular Properties

Compound Name1,3-dibromo-2-chlorobenzene
PubChem CID14029661
Molecular FormulaC6H3Br2Cl
Molecular Weight270.35 g/mol
Exact Mass267.83
IUPAC Name1,3-dibromo-2-chlorobenzene
SMILESClc1c(Br)cccc1Br
InChIInChI=1S/C6H3Br2Cl/c7-4-2-1-3-5(8)6(4)9/h1-3H
InChIKeyIRPWVEBIMPXCAZ-UHFFFAOYSA-N
XLogP3.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,3-dibromo-2-chlorobenzene?
The IUPAC name of 1,3-dibromo-2-chlorobenzene (CID 14029661) is 1,3-dibromo-2-chlorobenzene.
What is the SMILES notation for 1,3-dibromo-2-chlorobenzene?
The canonical SMILES for 1,3-dibromo-2-chlorobenzene is Clc1c(Br)cccc1Br.
What is the InChIKey of 1,3-dibromo-2-chlorobenzene?
The InChIKey is IRPWVEBIMPXCAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3Br2Cl/c7-4-2-1-3-5(8)6(4)9/h1-3H.
What are the key properties of 1,3-dibromo-2-chlorobenzene?
1,3-dibromo-2-chlorobenzene has a molecular weight of 270.35 g/mol, XLogP of 3.87, 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-chlorobenzene is sourced from PubChem (CID 14029661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).