sodium 2-bromophenolate

C6H4BrNaO — CID 20610457

IUPACsodium 2-bromophenolate
SMILES[Na+].[O-]c1ccccc1Br
InChIInChI=1S/C6H5BrO.Na/c7-5-3-1-2-4-6(5)8;/h1-4,8H;/q;+1/p-1
InChIKeyOZSKVIDRCKBITI-UHFFFAOYSA-M
MW194.99 g/mol
LogP-1.47
Rot. Bonds

About sodium 2-bromophenolate

sodium 2-bromophenolate (PubChem CID 20610457) has the molecular formula C6H4BrNaO and a molecular weight of 194.99 g/mol. Its IUPAC name is sodium 2-bromophenolate.

Molecular Properties

Compound Namesodium 2-bromophenolate
PubChem CID20610457
Molecular FormulaC6H4BrNaO
Molecular Weight194.99 g/mol
Exact Mass193.93
IUPAC Namesodium 2-bromophenolate
SMILES[Na+].[O-]c1ccccc1Br
InChIInChI=1S/C6H5BrO.Na/c7-5-3-1-2-4-6(5)8;/h1-4,8H;/q;+1/p-1
InChIKeyOZSKVIDRCKBITI-UHFFFAOYSA-M
XLogP-1.47
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.99
LogP ≤ 5-1.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of sodium 2-bromophenolate?
The IUPAC name of sodium 2-bromophenolate (CID 20610457) is sodium 2-bromophenolate.
What is the SMILES notation for sodium 2-bromophenolate?
The canonical SMILES for sodium 2-bromophenolate is [Na+].[O-]c1ccccc1Br.
What is the InChIKey of sodium 2-bromophenolate?
The InChIKey is OZSKVIDRCKBITI-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H5BrO.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-bromophenolate?
sodium 2-bromophenolate has a molecular weight of 194.99 g/mol, XLogP of -1.47, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-bromophenolate is sourced from PubChem (CID 20610457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).