5-bromo-4-chloro-1-benzofuran-3-one

C8H4BrClO2 — CID 131314374

IUPAC5-bromo-4-chloro-1-benzofuran-3-one
SMILESO=C1COc2ccc(Br)c(Cl)c21
InChIInChI=1S/C8H4BrClO2/c9-4-1-2-6-7(8(4)10)5(11)3-12-6/h1-2H,3H2
InChIKeyTXXVJTGLWAKHNP-UHFFFAOYSA-N
MW247.47 g/mol
LogP2.68
Rot. Bonds

About 5-bromo-4-chloro-1-benzofuran-3-one

5-bromo-4-chloro-1-benzofuran-3-one (PubChem CID 131314374) has the molecular formula C8H4BrClO2 and a molecular weight of 247.47 g/mol. Its IUPAC name is 5-bromo-4-chloro-1-benzofuran-3-one.

Molecular Properties

Compound Name5-bromo-4-chloro-1-benzofuran-3-one
PubChem CID131314374
Molecular FormulaC8H4BrClO2
Molecular Weight247.47 g/mol
Exact Mass245.91
IUPAC Name5-bromo-4-chloro-1-benzofuran-3-one
SMILESO=C1COc2ccc(Br)c(Cl)c21
InChIInChI=1S/C8H4BrClO2/c9-4-1-2-6-7(8(4)10)5(11)3-12-6/h1-2H,3H2
InChIKeyTXXVJTGLWAKHNP-UHFFFAOYSA-N
XLogP2.68
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.47
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chloro-1-benzofuran-3-one?
The IUPAC name of 5-bromo-4-chloro-1-benzofuran-3-one (CID 131314374) is 5-bromo-4-chloro-1-benzofuran-3-one.
What is the SMILES notation for 5-bromo-4-chloro-1-benzofuran-3-one?
The canonical SMILES for 5-bromo-4-chloro-1-benzofuran-3-one is O=C1COc2ccc(Br)c(Cl)c21.
What is the InChIKey of 5-bromo-4-chloro-1-benzofuran-3-one?
The InChIKey is TXXVJTGLWAKHNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrClO2/c9-4-1-2-6-7(8(4)10)5(11)3-12-6/h1-2H,3H2.
What are the key properties of 5-bromo-4-chloro-1-benzofuran-3-one?
5-bromo-4-chloro-1-benzofuran-3-one has a molecular weight of 247.47 g/mol, XLogP of 2.68, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-chloro-1-benzofuran-3-one is sourced from PubChem (CID 131314374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).