2-bromo-1,4-dichlorobenzene

C6H3BrCl2 — CID 15033

IUPAC2-bromo-1,4-dichlorobenzene
SMILESClc1ccc(Cl)c(Br)c1
InChIInChI=1S/C6H3BrCl2/c7-5-3-4(8)1-2-6(5)9/h1-3H
InChIKeyOVXVQBCRONSPDC-UHFFFAOYSA-N
MW225.90 g/mol
LogP3.76
Rot. Bonds

About 2-bromo-1,4-dichlorobenzene

2-bromo-1,4-dichlorobenzene (PubChem CID 15033) has the molecular formula C6H3BrCl2 and a molecular weight of 225.90 g/mol. Its IUPAC name is 2-bromo-1,4-dichlorobenzene.

Molecular Properties

Compound Name2-bromo-1,4-dichlorobenzene
PubChem CID15033
Molecular FormulaC6H3BrCl2
Molecular Weight225.90 g/mol
Exact Mass223.88
IUPAC Name2-bromo-1,4-dichlorobenzene
SMILESClc1ccc(Cl)c(Br)c1
InChIInChI=1S/C6H3BrCl2/c7-5-3-4(8)1-2-6(5)9/h1-3H
InChIKeyOVXVQBCRONSPDC-UHFFFAOYSA-N
XLogP3.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.90
LogP ≤ 53.76
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 2-bromo-1,4-dichlorobenzene?
The IUPAC name of 2-bromo-1,4-dichlorobenzene (CID 15033) is 2-bromo-1,4-dichlorobenzene.
What is the SMILES notation for 2-bromo-1,4-dichlorobenzene?
The canonical SMILES for 2-bromo-1,4-dichlorobenzene is Clc1ccc(Cl)c(Br)c1.
What is the InChIKey of 2-bromo-1,4-dichlorobenzene?
The InChIKey is OVXVQBCRONSPDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3BrCl2/c7-5-3-4(8)1-2-6(5)9/h1-3H.
What are the key properties of 2-bromo-1,4-dichlorobenzene?
2-bromo-1,4-dichlorobenzene has a molecular weight of 225.90 g/mol, XLogP of 3.76, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1,4-dichlorobenzene is sourced from PubChem (CID 15033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).