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

C8H4BrClO2 — CID 43511785

IUPAC7-bromo-5-chloro-1-benzofuran-3-one
SMILESO=C1COc2c(Br)cc(Cl)cc21
InChIInChI=1S/C8H4BrClO2/c9-6-2-4(10)1-5-7(11)3-12-8(5)6/h1-2H,3H2
InChIKeySSONNUKQVUJKHI-UHFFFAOYSA-N
MW247.47 g/mol
LogP2.68
Rot. Bonds

About 7-bromo-5-chloro-1-benzofuran-3-one

7-bromo-5-chloro-1-benzofuran-3-one (PubChem CID 43511785) has the molecular formula C8H4BrClO2 and a molecular weight of 247.47 g/mol. Its IUPAC name is 7-bromo-5-chloro-1-benzofuran-3-one.

Molecular Properties

Compound Name7-bromo-5-chloro-1-benzofuran-3-one
PubChem CID43511785
Molecular FormulaC8H4BrClO2
Molecular Weight247.47 g/mol
Exact Mass245.91
IUPAC Name7-bromo-5-chloro-1-benzofuran-3-one
SMILESO=C1COc2c(Br)cc(Cl)cc21
InChIInChI=1S/C8H4BrClO2/c9-6-2-4(10)1-5-7(11)3-12-8(5)6/h1-2H,3H2
InChIKeySSONNUKQVUJKHI-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 7-bromo-5-chloro-1-benzofuran-3-one?
The IUPAC name of 7-bromo-5-chloro-1-benzofuran-3-one (CID 43511785) is 7-bromo-5-chloro-1-benzofuran-3-one.
What is the SMILES notation for 7-bromo-5-chloro-1-benzofuran-3-one?
The canonical SMILES for 7-bromo-5-chloro-1-benzofuran-3-one is O=C1COc2c(Br)cc(Cl)cc21.
What is the InChIKey of 7-bromo-5-chloro-1-benzofuran-3-one?
The InChIKey is SSONNUKQVUJKHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrClO2/c9-6-2-4(10)1-5-7(11)3-12-8(5)6/h1-2H,3H2.
What are the key properties of 7-bromo-5-chloro-1-benzofuran-3-one?
7-bromo-5-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 7-bromo-5-chloro-1-benzofuran-3-one is sourced from PubChem (CID 43511785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).