sodium 4-chlorophenolate

C6H4ClNaO — CID 23666363

IUPACsodium 4-chlorophenolate
SMILES[Na+].[O-]c1ccc(Cl)cc1
InChIInChI=1S/C6H5ClO.Na/c7-5-1-3-6(8)4-2-5;/h1-4,8H;/q;+1/p-1
InChIKeyCFPLEOLETMZLIB-UHFFFAOYSA-M
MW150.54 g/mol
LogP-1.58
Rot. Bonds

About sodium 4-chlorophenolate

sodium 4-chlorophenolate (PubChem CID 23666363) has the molecular formula C6H4ClNaO and a molecular weight of 150.54 g/mol. Its IUPAC name is sodium 4-chlorophenolate.

Molecular Properties

Compound Namesodium 4-chlorophenolate
PubChem CID23666363
Molecular FormulaC6H4ClNaO
Molecular Weight150.54 g/mol
Exact Mass149.98
IUPAC Namesodium 4-chlorophenolate
SMILES[Na+].[O-]c1ccc(Cl)cc1
InChIInChI=1S/C6H5ClO.Na/c7-5-1-3-6(8)4-2-5;/h1-4,8H;/q;+1/p-1
InChIKeyCFPLEOLETMZLIB-UHFFFAOYSA-M
XLogP-1.58
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.54
LogP ≤ 5-1.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of sodium 4-chlorophenolate?
The IUPAC name of sodium 4-chlorophenolate (CID 23666363) is sodium 4-chlorophenolate.
What is the SMILES notation for sodium 4-chlorophenolate?
The canonical SMILES for sodium 4-chlorophenolate is [Na+].[O-]c1ccc(Cl)cc1.
What is the InChIKey of sodium 4-chlorophenolate?
The InChIKey is CFPLEOLETMZLIB-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H5ClO.Na/c7-5-1-3-6(8)4-2-5;/h1-4,8H;/q;+1/p-1.
What are the key properties of sodium 4-chlorophenolate?
sodium 4-chlorophenolate has a molecular weight of 150.54 g/mol, XLogP of -1.58, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 4-chlorophenolate is sourced from PubChem (CID 23666363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).