sodium;3H-2-benzofuran-1-one;chloride

C8H6ClNaO2 — CID 174937502

IUPACsodium;3H-2-benzofuran-1-one;chloride
SMILESO=C1OCc2ccccc21.[Cl-].[Na+]
InChIInChI=1S/C8H6O2.ClH.Na/c9-8-7-4-2-1-3-6(7)5-10-8;;/h1-4H,5H2;1H;/q;;+1/p-1
InChIKeyABRRJDKFOHSLHL-UHFFFAOYSA-M
MW192.58 g/mol
LogP-4.64
Rot. Bonds

About sodium;3H-2-benzofuran-1-one;chloride

sodium;3H-2-benzofuran-1-one;chloride (PubChem CID 174937502) has the molecular formula C8H6ClNaO2 and a molecular weight of 192.58 g/mol. Its IUPAC name is sodium;3H-2-benzofuran-1-one;chloride.

Molecular Properties

Compound Namesodium;3H-2-benzofuran-1-one;chloride
PubChem CID174937502
Molecular FormulaC8H6ClNaO2
Molecular Weight192.58 g/mol
Exact Mass192.00
IUPAC Namesodium;3H-2-benzofuran-1-one;chloride
SMILESO=C1OCc2ccccc21.[Cl-].[Na+]
InChIInChI=1S/C8H6O2.ClH.Na/c9-8-7-4-2-1-3-6(7)5-10-8;;/h1-4H,5H2;1H;/q;;+1/p-1
InChIKeyABRRJDKFOHSLHL-UHFFFAOYSA-M
XLogP-4.64
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.58
LogP ≤ 5-4.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of sodium;3H-2-benzofuran-1-one;chloride?
The IUPAC name of sodium;3H-2-benzofuran-1-one;chloride (CID 174937502) is sodium;3H-2-benzofuran-1-one;chloride.
What is the SMILES notation for sodium;3H-2-benzofuran-1-one;chloride?
The canonical SMILES for sodium;3H-2-benzofuran-1-one;chloride is O=C1OCc2ccccc21.[Cl-].[Na+].
What is the InChIKey of sodium;3H-2-benzofuran-1-one;chloride?
The InChIKey is ABRRJDKFOHSLHL-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H6O2.ClH.Na/c9-8-7-4-2-1-3-6(7)5-10-8;;/h1-4H,5H2;1H;/q;;+1/p-1.
What are the key properties of sodium;3H-2-benzofuran-1-one;chloride?
sodium;3H-2-benzofuran-1-one;chloride has a molecular weight of 192.58 g/mol, XLogP of -4.64, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;3H-2-benzofuran-1-one;chloride is sourced from PubChem (CID 174937502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).