sodium 2-chlorophenolate

C6H4ClNaO — CID 23687812

IUPACsodium 2-chlorophenolate
SMILES[Na+].[O-]c1ccccc1Cl
InChIInChI=1S/C6H5ClO.Na/c7-5-3-1-2-4-6(5)8;/h1-4,8H;/q;+1/p-1
InChIKeyGQFIWFPBDXSASA-UHFFFAOYSA-M
MW150.54 g/mol
LogP-1.58
Rot. Bonds

About sodium 2-chlorophenolate

sodium 2-chlorophenolate (PubChem CID 23687812) has the molecular formula C6H4ClNaO and a molecular weight of 150.54 g/mol. Its IUPAC name is sodium 2-chlorophenolate.

Molecular Properties

Compound Namesodium 2-chlorophenolate
PubChem CID23687812
Molecular FormulaC6H4ClNaO
Molecular Weight150.54 g/mol
Exact Mass149.98
IUPAC Namesodium 2-chlorophenolate
SMILES[Na+].[O-]c1ccccc1Cl
InChIInChI=1S/C6H5ClO.Na/c7-5-3-1-2-4-6(5)8;/h1-4,8H;/q;+1/p-1
InChIKeyGQFIWFPBDXSASA-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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Related Compounds

CID 8449
CID 8449
CID 4684
CID 4684
CID 7933
CID 7933
CID 7245
CID 7245
CID 11334
CID 11334
CID 66
CID 66
CID 6899
CID 6899
CID 301
CID 301
CID 2773710
CID 2773710
CID 13011
CID 13011
CID 16683287
CID 16683287
CID 23678873
CID 23678873

Frequently Asked Questions

What is the IUPAC name of sodium 2-chlorophenolate?
The IUPAC name of sodium 2-chlorophenolate (CID 23687812) is sodium 2-chlorophenolate.
What is the SMILES notation for sodium 2-chlorophenolate?
The canonical SMILES for sodium 2-chlorophenolate is [Na+].[O-]c1ccccc1Cl.
What is the InChIKey of sodium 2-chlorophenolate?
The InChIKey is GQFIWFPBDXSASA-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H5ClO.Na/c7-5-3-1-2-4-6(5)8;/h1-4,8H;/q;+1/p-1.
What are the key properties of sodium 2-chlorophenolate?
sodium 2-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 2-chlorophenolate is sourced from PubChem (CID 23687812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).