7-bromo-4,6-dichloro-1-benzofuran

C8H3BrCl2O — CID 22144862

IUPAC7-bromo-4,6-dichloro-1-benzofuran
SMILESClc1cc(Cl)c2ccoc2c1Br
InChIInChI=1S/C8H3BrCl2O/c9-7-6(11)3-5(10)4-1-2-12-8(4)7/h1-3H
InChIKeyMYBIFCSBLKPPJL-UHFFFAOYSA-N
MW265.92 g/mol
LogP4.50
Rot. Bonds

About 7-bromo-4,6-dichloro-1-benzofuran

7-bromo-4,6-dichloro-1-benzofuran (PubChem CID 22144862) has the molecular formula C8H3BrCl2O and a molecular weight of 265.92 g/mol. Its IUPAC name is 7-bromo-4,6-dichloro-1-benzofuran.

Molecular Properties

Compound Name7-bromo-4,6-dichloro-1-benzofuran
PubChem CID22144862
Molecular FormulaC8H3BrCl2O
Molecular Weight265.92 g/mol
Exact Mass263.87
IUPAC Name7-bromo-4,6-dichloro-1-benzofuran
SMILESClc1cc(Cl)c2ccoc2c1Br
InChIInChI=1S/C8H3BrCl2O/c9-7-6(11)3-5(10)4-1-2-12-8(4)7/h1-3H
InChIKeyMYBIFCSBLKPPJL-UHFFFAOYSA-N
XLogP4.50
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.92
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 7-bromo-4,6-dichloro-1-benzofuran?
The IUPAC name of 7-bromo-4,6-dichloro-1-benzofuran (CID 22144862) is 7-bromo-4,6-dichloro-1-benzofuran.
What is the SMILES notation for 7-bromo-4,6-dichloro-1-benzofuran?
The canonical SMILES for 7-bromo-4,6-dichloro-1-benzofuran is Clc1cc(Cl)c2ccoc2c1Br.
What is the InChIKey of 7-bromo-4,6-dichloro-1-benzofuran?
The InChIKey is MYBIFCSBLKPPJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3BrCl2O/c9-7-6(11)3-5(10)4-1-2-12-8(4)7/h1-3H.
What are the key properties of 7-bromo-4,6-dichloro-1-benzofuran?
7-bromo-4,6-dichloro-1-benzofuran has a molecular weight of 265.92 g/mol, XLogP of 4.50, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-4,6-dichloro-1-benzofuran is sourced from PubChem (CID 22144862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).