benzeneseleninic acid

C6H6O2Se — CID 23427

IUPACbenzeneseleninic acid
SMILESO=[Se](O)c1ccccc1
InChIInChI=1S/C6H6O2Se/c7-9(8)6-4-2-1-3-5-6/h1-5H,(H,7,8)
InChIKeyWIHKGDVGLJJAMC-UHFFFAOYSA-N
MW189.07 g/mol
LogP-0.20
Rot. Bonds1

About benzeneseleninic acid

benzeneseleninic acid (PubChem CID 23427) has the molecular formula C6H6O2Se and a molecular weight of 189.07 g/mol. Its IUPAC name is benzeneseleninic acid.

Molecular Properties

Compound Namebenzeneseleninic acid
PubChem CID23427
Molecular FormulaC6H6O2Se
Molecular Weight189.07 g/mol
Exact Mass189.95
IUPAC Namebenzeneseleninic acid
SMILESO=[Se](O)c1ccccc1
InChIInChI=1S/C6H6O2Se/c7-9(8)6-4-2-1-3-5-6/h1-5H,(H,7,8)
InChIKeyWIHKGDVGLJJAMC-UHFFFAOYSA-N
XLogP-0.20
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.07
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Benzene
CID 241
Phenylboronic Acid
CID 66827
Phenylmercuric Chloride
CID 7511
Phenylarsonic Acid
CID 7365
Phenylmercury borate
CID 16683761
Phenylphosphonic Acid
CID 15295
Iodosylbenzene
CID 92125
Benzene-D6
CID 71601
Phenylmercuric hydroxide
CID 7512
Benzeneselenol
CID 69530
2-Fluorophenylboronic acid
CID 2734354
4-Fluorophenylboronic acid
CID 285645

Frequently Asked Questions

What is the IUPAC name of benzeneseleninic acid?
The IUPAC name of benzeneseleninic acid (CID 23427) is benzeneseleninic acid.
What is the SMILES notation for benzeneseleninic acid?
The canonical SMILES for benzeneseleninic acid is O=[Se](O)c1ccccc1.
What is the InChIKey of benzeneseleninic acid?
The InChIKey is WIHKGDVGLJJAMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O2Se/c7-9(8)6-4-2-1-3-5-6/h1-5H,(H,7,8).
What are the key properties of benzeneseleninic acid?
benzeneseleninic acid has a molecular weight of 189.07 g/mol, XLogP of -0.20, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzeneseleninic acid is sourced from PubChem (CID 23427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).