sodium 4-bromo-2-fluorophenolate

C6H3BrFNaO — CID 23667911

IUPACsodium 4-bromo-2-fluorophenolate
SMILES[Na+].[O-]c1ccc(Br)cc1F
InChIInChI=1S/C6H4BrFO.Na/c7-4-1-2-6(9)5(8)3-4;/h1-3,9H;/q;+1/p-1
InChIKeyJWCYAMCEOQBFML-UHFFFAOYSA-M
MW212.98 g/mol
LogP-1.33
Rot. Bonds

About sodium 4-bromo-2-fluorophenolate

sodium 4-bromo-2-fluorophenolate (PubChem CID 23667911) has the molecular formula C6H3BrFNaO and a molecular weight of 212.98 g/mol. Its IUPAC name is sodium 4-bromo-2-fluorophenolate.

Molecular Properties

Compound Namesodium 4-bromo-2-fluorophenolate
PubChem CID23667911
Molecular FormulaC6H3BrFNaO
Molecular Weight212.98 g/mol
Exact Mass211.92
IUPAC Namesodium 4-bromo-2-fluorophenolate
SMILES[Na+].[O-]c1ccc(Br)cc1F
InChIInChI=1S/C6H4BrFO.Na/c7-4-1-2-6(9)5(8)3-4;/h1-3,9H;/q;+1/p-1
InChIKeyJWCYAMCEOQBFML-UHFFFAOYSA-M
XLogP-1.33
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.98
LogP ≤ 5-1.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of sodium 4-bromo-2-fluorophenolate?
The IUPAC name of sodium 4-bromo-2-fluorophenolate (CID 23667911) is sodium 4-bromo-2-fluorophenolate.
What is the SMILES notation for sodium 4-bromo-2-fluorophenolate?
The canonical SMILES for sodium 4-bromo-2-fluorophenolate is [Na+].[O-]c1ccc(Br)cc1F.
What is the InChIKey of sodium 4-bromo-2-fluorophenolate?
The InChIKey is JWCYAMCEOQBFML-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H4BrFO.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 4-bromo-2-fluorophenolate?
sodium 4-bromo-2-fluorophenolate has a molecular weight of 212.98 g/mol, XLogP of -1.33, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 4-bromo-2-fluorophenolate is sourced from PubChem (CID 23667911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).