chloro(phenacyl)mercury

C8H7ClHgO — CID 11760040

IUPACchloro(phenacyl)mercury
SMILESO=C(C[Hg]Cl)c1ccccc1
InChIInChI=1S/C8H7O.ClH.Hg/c1-7(9)8-5-3-2-4-6-8;;/h2-6H,1H2;1H;/q;;+1/p-1
InChIKeyNJEJOAYGUQROGY-UHFFFAOYSA-M
MW355.19 g/mol
LogP2.52
Rot. Bonds3

About chloro(phenacyl)mercury

chloro(phenacyl)mercury (PubChem CID 11760040) has the molecular formula C8H7ClHgO and a molecular weight of 355.19 g/mol. Its IUPAC name is chloro(phenacyl)mercury.

Molecular Properties

Compound Namechloro(phenacyl)mercury
PubChem CID11760040
Molecular FormulaC8H7ClHgO
Molecular Weight355.19 g/mol
Exact Mass355.99
IUPAC Namechloro(phenacyl)mercury
SMILESO=C(C[Hg]Cl)c1ccccc1
InChIInChI=1S/C8H7O.ClH.Hg/c1-7(9)8-5-3-2-4-6-8;;/h2-6H,1H2;1H;/q;;+1/p-1
InChIKeyNJEJOAYGUQROGY-UHFFFAOYSA-M
XLogP2.52
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.19
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

CID 173152165
CID 173152165
1,3-diphenylpropane-1,3-dione;dihydrofluoride
CID 159485423
bis(1,3-diphenylpropane-1,3-dione);zinc
CID 67929938
3-phenacyl-1,5-diphenylpentane-1,5-dione
CID 10547136
benzene;2-hydroxy-1-phenylethanone
CID 174663024
azane;2-hydroxy-1-phenylethanone
CID 161228887
1-phenyl(111C)propan-1-one
CID 11159350
4-oxo-4-phenylbutanoyl chloride
CID 10932389
2-benzamidoethyl(chloro)mercury
CID 70399484
2-bromo-1-phenylethanone;hydrochloride
CID 172844250
3-oxo-3-phenylpropanoic acid;silver
CID 87120895
2-phenacyloxy-1-phenylethanone
CID 12781821

Frequently Asked Questions

What is the IUPAC name of chloro(phenacyl)mercury?
The IUPAC name of chloro(phenacyl)mercury (CID 11760040) is chloro(phenacyl)mercury.
What is the SMILES notation for chloro(phenacyl)mercury?
The canonical SMILES for chloro(phenacyl)mercury is O=C(C[Hg]Cl)c1ccccc1.
What is the InChIKey of chloro(phenacyl)mercury?
The InChIKey is NJEJOAYGUQROGY-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H7O.ClH.Hg/c1-7(9)8-5-3-2-4-6-8;;/h2-6H,1H2;1H;/q;;+1/p-1.
What are the key properties of chloro(phenacyl)mercury?
chloro(phenacyl)mercury has a molecular weight of 355.19 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for chloro(phenacyl)mercury is sourced from PubChem (CID 11760040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).