4-Bromo-2,5-dichlorophenol sodium salt

C6H3BrCl2NaO — CID 6335915

IUPAC—
SMILESOc1cc(Cl)c(Br)cc1Cl.[Na]
InChIInChI=1S/C6H3BrCl2O.Na/c7-3-1-5(9)6(10)2-4(3)8;/h1-2,10H;
InChIKeyFYRVMZSKWATEMP-UHFFFAOYSA-N
MW264.89 g/mol
LogP3.08
Rot. Bonds

About 4-Bromo-2,5-dichlorophenol sodium salt

4-Bromo-2,5-dichlorophenol sodium salt (PubChem CID 6335915) has the molecular formula C6H3BrCl2NaO and a molecular weight of 264.89 g/mol.

Molecular Properties

Compound Name4-Bromo-2,5-dichlorophenol sodium salt
PubChem CID6335915
Molecular FormulaC6H3BrCl2NaO
Molecular Weight264.89 g/mol
Exact Mass262.86
IUPAC Name—
SMILESOc1cc(Cl)c(Br)cc1Cl.[Na]
InChIInChI=1S/C6H3BrCl2O.Na/c7-3-1-5(9)6(10)2-4(3)8;/h1-2,10H;
InChIKeyFYRVMZSKWATEMP-UHFFFAOYSA-N
XLogP3.08
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.89
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-Bromo-2,5-dichlorophenol sodium salt?
The IUPAC name of 4-Bromo-2,5-dichlorophenol sodium salt (CID 6335915) is not available.
What is the SMILES notation for 4-Bromo-2,5-dichlorophenol sodium salt?
The canonical SMILES for 4-Bromo-2,5-dichlorophenol sodium salt is Oc1cc(Cl)c(Br)cc1Cl.[Na].
What is the InChIKey of 4-Bromo-2,5-dichlorophenol sodium salt?
The InChIKey is FYRVMZSKWATEMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3BrCl2O.Na/c7-3-1-5(9)6(10)2-4(3)8;/h1-2,10H;.
What are the key properties of 4-Bromo-2,5-dichlorophenol sodium salt?
4-Bromo-2,5-dichlorophenol sodium salt has a molecular weight of 264.89 g/mol, XLogP of 3.08, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-Bromo-2,5-dichlorophenol sodium salt is sourced from PubChem (CID 6335915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).