Mercufenol Chloride

C6H5ClHgO — CID 6999

IUPACchloro-(2-hydroxyphenyl)mercury
SMILESC1=CC=C(C(=C1)O)[Hg]Cl
InChIInChI=1S/C6H5O.ClH.Hg/c7-6-4-2-1-3-5-6;;/h1-4,7H;1H;/q;;+1/p-1
InChIKeyGABVDWALKPAUEQ-UHFFFAOYSA-M
MW329.15 g/mol
LogP—
Rot. Bonds

About Mercufenol Chloride

Mercufenol Chloride (PubChem CID 6999) has the molecular formula C6H5ClHgO and a molecular weight of 329.15 g/mol. Its IUPAC name is chloro-(2-hydroxyphenyl)mercury.

Molecular Properties

Compound NameMercufenol Chloride
PubChem CID6999
Molecular FormulaC6H5ClHgO
Molecular Weight329.15 g/mol
Exact Mass329.97
IUPAC Namechloro-(2-hydroxyphenyl)mercury
SMILESC1=CC=C(C(=C1)O)[Hg]Cl
InChIInChI=1S/C6H5O.ClH.Hg/c7-6-4-2-1-3-5-6;;/h1-4,7H;1H;/q;;+1/p-1
InChIKeyGABVDWALKPAUEQ-UHFFFAOYSA-M
XLogP—
TPSA20.20 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity89

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.15
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

Hydroquinone
CID 785
Phenol
CID 996
Catechol
CID 289
Resorcinol
CID 5054
4-Chlorophenol
CID 4684
Phloroglucinol
CID 359
3-Chlorophenol
CID 7933
Phenolate Sodium
CID 4445035
Nitrophenols
CID 88473196
4-Iodophenol
CID 10894
4-Fluorophenol
CID 9732
2-Iodophenol
CID 10784

Frequently Asked Questions

What is the IUPAC name of Mercufenol Chloride?
The IUPAC name of Mercufenol Chloride (CID 6999) is chloro-(2-hydroxyphenyl)mercury.
What is the SMILES notation for Mercufenol Chloride?
The canonical SMILES for Mercufenol Chloride is C1=CC=C(C(=C1)O)[Hg]Cl.
What is the InChIKey of Mercufenol Chloride?
The InChIKey is GABVDWALKPAUEQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H5O.ClH.Hg/c7-6-4-2-1-3-5-6;;/h1-4,7H;1H;/q;;+1/p-1.
What are the key properties of Mercufenol Chloride?
Mercufenol Chloride has a molecular weight of 329.15 g/mol, XLogP of not available, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for Mercufenol Chloride is sourced from PubChem (CID 6999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).