sodium 2,5-dichlorophenolate

C6H3Cl2NaO — CID 23667212

IUPACsodium 2,5-dichlorophenolate
SMILES[Na+].[O-]c1cc(Cl)ccc1Cl
InChIInChI=1S/C6H4Cl2O.Na/c7-4-1-2-5(8)6(9)3-4;/h1-3,9H;/q;+1/p-1
InChIKeyYLJQSXXOUNWETA-UHFFFAOYSA-M
MW184.99 g/mol
LogP-0.93
Rot. Bonds

About sodium 2,5-dichlorophenolate

sodium 2,5-dichlorophenolate (PubChem CID 23667212) has the molecular formula C6H3Cl2NaO and a molecular weight of 184.99 g/mol. Its IUPAC name is sodium 2,5-dichlorophenolate.

Molecular Properties

Compound Namesodium 2,5-dichlorophenolate
PubChem CID23667212
Molecular FormulaC6H3Cl2NaO
Molecular Weight184.99 g/mol
Exact Mass183.95
IUPAC Namesodium 2,5-dichlorophenolate
SMILES[Na+].[O-]c1cc(Cl)ccc1Cl
InChIInChI=1S/C6H4Cl2O.Na/c7-4-1-2-5(8)6(9)3-4;/h1-3,9H;/q;+1/p-1
InChIKeyYLJQSXXOUNWETA-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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Related Compounds

sodium;hydride;1,2,4-trichlorobenzene
CID 173452443
methane;1,2,4-trichlorobenzene
CID 157397102
calcium 2,4-dichlorophenolate
CID 3019582
1,2-dichlorobenzene;1,2,4-trichlorobenzene
CID 161216251
formonitrile;1,2,4-trichlorobenzene
CID 174386520
4-chloro-2-fluorophenolate
CID 154609677
sulfuryl dichloride;1,2,4-trichlorobenzene
CID 77134549
potassium 2-bromo-4-chlorophenolate
CID 155570477
nitrous acid;1,2,4-trichlorobenzene
CID 174763822
1-chloro-4-methylbenzene;1,2,4-trichlorobenzene
CID 90450640
3-(2,5-dichlorophenyl)-2H-1,3,4-oxadiazole
CID 70522365
(2,5-dichlorophenyl)azanium chloride
CID 53446797

Frequently Asked Questions

What is the IUPAC name of sodium 2,5-dichlorophenolate?
The IUPAC name of sodium 2,5-dichlorophenolate (CID 23667212) is sodium 2,5-dichlorophenolate.
What is the SMILES notation for sodium 2,5-dichlorophenolate?
The canonical SMILES for sodium 2,5-dichlorophenolate is [Na+].[O-]c1cc(Cl)ccc1Cl.
What is the InChIKey of sodium 2,5-dichlorophenolate?
The InChIKey is YLJQSXXOUNWETA-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H4Cl2O.Na/c7-4-1-2-5(8)6(9)3-4;/h1-3,9H;/q;+1/p-1.
What are the key properties of sodium 2,5-dichlorophenolate?
sodium 2,5-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 2,5-dichlorophenolate is sourced from PubChem (CID 23667212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).