sodium 2,4,6-trichlorophenolate

C6H2Cl3NaO — CID 23678873

IUPACsodium 2,4,6-trichlorophenolate
SMILES[Na+].[O-]c1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C6H3Cl3O.Na/c7-3-1-4(8)6(10)5(9)2-3;/h1-2,10H;/q;+1/p-1
InChIKeyMWWVVWIHGYXNNR-UHFFFAOYSA-M
MW219.43 g/mol
LogP-0.28
Rot. Bonds

About sodium 2,4,6-trichlorophenolate

sodium 2,4,6-trichlorophenolate (PubChem CID 23678873) has the molecular formula C6H2Cl3NaO and a molecular weight of 219.43 g/mol. Its IUPAC name is sodium 2,4,6-trichlorophenolate.

Molecular Properties

Compound Namesodium 2,4,6-trichlorophenolate
PubChem CID23678873
Molecular FormulaC6H2Cl3NaO
Molecular Weight219.43 g/mol
Exact Mass217.91
IUPAC Namesodium 2,4,6-trichlorophenolate
SMILES[Na+].[O-]c1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C6H3Cl3O.Na/c7-3-1-4(8)6(10)5(9)2-3;/h1-2,10H;/q;+1/p-1
InChIKeyMWWVVWIHGYXNNR-UHFFFAOYSA-M
XLogP-0.28
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.43
LogP ≤ 5-0.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

CID 6914
CID 6914
CID 8449
CID 8449
CID 23662264
CID 23662264
CID 6899
CID 6899
CID 6884
CID 6884
CID 16683287
CID 16683287
CID 23678872
CID 23678872
CID 77264
CID 77264
CID 4559010
CID 4559010
CID 10923837
CID 10923837
CID 5223209
CID 5223209
CID 23616151
CID 23616151

Frequently Asked Questions

What is the IUPAC name of sodium 2,4,6-trichlorophenolate?
The IUPAC name of sodium 2,4,6-trichlorophenolate (CID 23678873) is sodium 2,4,6-trichlorophenolate.
What is the SMILES notation for sodium 2,4,6-trichlorophenolate?
The canonical SMILES for sodium 2,4,6-trichlorophenolate is [Na+].[O-]c1c(Cl)cc(Cl)cc1Cl.
What is the InChIKey of sodium 2,4,6-trichlorophenolate?
The InChIKey is MWWVVWIHGYXNNR-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H3Cl3O.Na/c7-3-1-4(8)6(10)5(9)2-3;/h1-2,10H;/q;+1/p-1.
What are the key properties of sodium 2,4,6-trichlorophenolate?
sodium 2,4,6-trichlorophenolate has a molecular weight of 219.43 g/mol, XLogP of -0.28, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2,4,6-trichlorophenolate is sourced from PubChem (CID 23678873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).