5-bromo-7-chloro-3H-2-benzofuran-1-one

C8H4BrClO2 — CID 67516366

IUPAC5-bromo-7-chloro-3H-2-benzofuran-1-one
SMILESO=C1OCc2cc(Br)cc(Cl)c21
InChIInChI=1S/C8H4BrClO2/c9-5-1-4-3-12-8(11)7(4)6(10)2-5/h1-2H,3H2
InChIKeyROMOLAMCFLMLQY-UHFFFAOYSA-N
MW247.47 g/mol
LogP2.77
Rot. Bonds

About 5-bromo-7-chloro-3H-2-benzofuran-1-one

5-bromo-7-chloro-3H-2-benzofuran-1-one (PubChem CID 67516366) has the molecular formula C8H4BrClO2 and a molecular weight of 247.47 g/mol. Its IUPAC name is 5-bromo-7-chloro-3H-2-benzofuran-1-one.

Molecular Properties

Compound Name5-bromo-7-chloro-3H-2-benzofuran-1-one
PubChem CID67516366
Molecular FormulaC8H4BrClO2
Molecular Weight247.47 g/mol
Exact Mass245.91
IUPAC Name5-bromo-7-chloro-3H-2-benzofuran-1-one
SMILESO=C1OCc2cc(Br)cc(Cl)c21
InChIInChI=1S/C8H4BrClO2/c9-5-1-4-3-12-8(11)7(4)6(10)2-5/h1-2H,3H2
InChIKeyROMOLAMCFLMLQY-UHFFFAOYSA-N
XLogP2.77
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 ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-7-chloro-3H-2-benzofuran-1-one?
The IUPAC name of 5-bromo-7-chloro-3H-2-benzofuran-1-one (CID 67516366) is 5-bromo-7-chloro-3H-2-benzofuran-1-one.
What is the SMILES notation for 5-bromo-7-chloro-3H-2-benzofuran-1-one?
The canonical SMILES for 5-bromo-7-chloro-3H-2-benzofuran-1-one is O=C1OCc2cc(Br)cc(Cl)c21.
What is the InChIKey of 5-bromo-7-chloro-3H-2-benzofuran-1-one?
The InChIKey is ROMOLAMCFLMLQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrClO2/c9-5-1-4-3-12-8(11)7(4)6(10)2-5/h1-2H,3H2.
What are the key properties of 5-bromo-7-chloro-3H-2-benzofuran-1-one?
5-bromo-7-chloro-3H-2-benzofuran-1-one has a molecular weight of 247.47 g/mol, XLogP of 2.77, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-7-chloro-3H-2-benzofuran-1-one is sourced from PubChem (CID 67516366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).