4-bromobenzeneselenolate

C6H4BrSe- — CID 13099932

IUPAC4-bromobenzeneselenolate
SMILES[Se-]c1ccc(Br)cc1
InChIInChI=1S/C6H5BrSe/c7-5-1-3-6(8)4-2-5/h1-4,8H/p-1
InChIKeyHMACDXNQOLCTRF-UHFFFAOYSA-M
MW234.96 g/mol
LogP1.24
Rot. Bonds

About 4-bromobenzeneselenolate

4-bromobenzeneselenolate (PubChem CID 13099932) has the molecular formula C6H4BrSe- and a molecular weight of 234.96 g/mol. Its IUPAC name is 4-bromobenzeneselenolate.

Molecular Properties

Compound Name4-bromobenzeneselenolate
PubChem CID13099932
Molecular FormulaC6H4BrSe-
Molecular Weight234.96 g/mol
Exact Mass234.87
IUPAC Name4-bromobenzeneselenolate
SMILES[Se-]c1ccc(Br)cc1
InChIInChI=1S/C6H5BrSe/c7-5-1-3-6(8)4-2-5/h1-4,8H/p-1
InChIKeyHMACDXNQOLCTRF-UHFFFAOYSA-M
XLogP1.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.96
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-bromobenzeneselenolate?
The IUPAC name of 4-bromobenzeneselenolate (CID 13099932) is 4-bromobenzeneselenolate.
What is the SMILES notation for 4-bromobenzeneselenolate?
The canonical SMILES for 4-bromobenzeneselenolate is [Se-]c1ccc(Br)cc1.
What is the InChIKey of 4-bromobenzeneselenolate?
The InChIKey is HMACDXNQOLCTRF-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H5BrSe/c7-5-1-3-6(8)4-2-5/h1-4,8H/p-1.
What are the key properties of 4-bromobenzeneselenolate?
4-bromobenzeneselenolate has a molecular weight of 234.96 g/mol, XLogP of 1.24, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromobenzeneselenolate is sourced from PubChem (CID 13099932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).