potassium 2-bromo-4-chlorophenolate

C6H3BrClKO — CID 155570477

IUPACpotassium 2-bromo-4-chlorophenolate
SMILES[K+].[O-]c1ccc(Cl)cc1Br
InChIInChI=1S/C6H4BrClO.K/c7-5-3-4(8)1-2-6(5)9;/h1-3,9H;/q;+1/p-1
InChIKeyAMJFQAHXVSFMJB-UHFFFAOYSA-M
MW245.54 g/mol
LogP-0.82
Rot. Bonds

About potassium 2-bromo-4-chlorophenolate

potassium 2-bromo-4-chlorophenolate (PubChem CID 155570477) has the molecular formula C6H3BrClKO and a molecular weight of 245.54 g/mol. Its IUPAC name is potassium 2-bromo-4-chlorophenolate.

Molecular Properties

Compound Namepotassium 2-bromo-4-chlorophenolate
PubChem CID155570477
Molecular FormulaC6H3BrClKO
Molecular Weight245.54 g/mol
Exact Mass243.87
IUPAC Namepotassium 2-bromo-4-chlorophenolate
SMILES[K+].[O-]c1ccc(Cl)cc1Br
InChIInChI=1S/C6H4BrClO.K/c7-5-3-4(8)1-2-6(5)9;/h1-3,9H;/q;+1/p-1
InChIKeyAMJFQAHXVSFMJB-UHFFFAOYSA-M
XLogP-0.82
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.54
LogP ≤ 5-0.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of potassium 2-bromo-4-chlorophenolate?
The IUPAC name of potassium 2-bromo-4-chlorophenolate (CID 155570477) is potassium 2-bromo-4-chlorophenolate.
What is the SMILES notation for potassium 2-bromo-4-chlorophenolate?
The canonical SMILES for potassium 2-bromo-4-chlorophenolate is [K+].[O-]c1ccc(Cl)cc1Br.
What is the InChIKey of potassium 2-bromo-4-chlorophenolate?
The InChIKey is AMJFQAHXVSFMJB-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H4BrClO.K/c7-5-3-4(8)1-2-6(5)9;/h1-3,9H;/q;+1/p-1.
What are the key properties of potassium 2-bromo-4-chlorophenolate?
potassium 2-bromo-4-chlorophenolate has a molecular weight of 245.54 g/mol, XLogP of -0.82, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 2-bromo-4-chlorophenolate is sourced from PubChem (CID 155570477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).