sodium 2,4-dichlorophenolate

C6H3Cl2NaO — CID 23678872

IUPACsodium 2,4-dichlorophenolate
SMILES[Na+].[O-]c1ccc(Cl)cc1Cl
InChIInChI=1S/C6H4Cl2O.Na/c7-4-1-2-6(9)5(8)3-4;/h1-3,9H;/q;+1/p-1
InChIKeyBYOIUZNBVLCMNV-UHFFFAOYSA-M
MW184.99 g/mol
LogP-0.93
Rot. Bonds

About sodium 2,4-dichlorophenolate

sodium 2,4-dichlorophenolate (PubChem CID 23678872) has the molecular formula C6H3Cl2NaO and a molecular weight of 184.99 g/mol. Its IUPAC name is sodium 2,4-dichlorophenolate.

Molecular Properties

Compound Namesodium 2,4-dichlorophenolate
PubChem CID23678872
Molecular FormulaC6H3Cl2NaO
Molecular Weight184.99 g/mol
Exact Mass183.95
IUPAC Namesodium 2,4-dichlorophenolate
SMILES[Na+].[O-]c1ccc(Cl)cc1Cl
InChIInChI=1S/C6H4Cl2O.Na/c7-4-1-2-6(9)5(8)3-4;/h1-3,9H;/q;+1/p-1
InChIKeyBYOIUZNBVLCMNV-UHFFFAOYSA-M
XLogP-0.93
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.99
LogP ≤ 5-0.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of sodium 2,4-dichlorophenolate?
The IUPAC name of sodium 2,4-dichlorophenolate (CID 23678872) is sodium 2,4-dichlorophenolate.
What is the SMILES notation for sodium 2,4-dichlorophenolate?
The canonical SMILES for sodium 2,4-dichlorophenolate is [Na+].[O-]c1ccc(Cl)cc1Cl.
What is the InChIKey of sodium 2,4-dichlorophenolate?
The InChIKey is BYOIUZNBVLCMNV-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H4Cl2O.Na/c7-4-1-2-6(9)5(8)3-4;/h1-3,9H;/q;+1/p-1.
What are the key properties of sodium 2,4-dichlorophenolate?
sodium 2,4-dichlorophenolate has a molecular weight of 184.99 g/mol, XLogP of -0.93, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2,4-dichlorophenolate is sourced from PubChem (CID 23678872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).