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

2,4,6-Trichlorophenol
CID 6914
2,4-Dichlorophenol
CID 8449
Sodium 2,4,5-trichlorophenolate
CID 23662264
2,6-Dichlorophenol
CID 6899
2,4,6-Trichloroanisole
CID 6884
Stannane, (2,4-dichlorophenoxy)tributyl-
CID 16683287
Sodium 2,4-dichlorophenolate
CID 23678872
Phenol, 2,4-dichloro-, methanesulfonate
CID 77264
2,4-Dichloro-6-iodophenol
CID 4559010
Sulfamic acid 2,4,6-trichloro-phenyl ester
CID 10923837
O-(2-Chlorophenyl) dichlorothiophosphate
CID 5223209
Sodium 2,3,4,6-tetrachlorophenolate
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).