(4-carboxyphenyl)-chloromercury

C7H5ClHgO2 — CID 1730

IUPAC(4-carboxyphenyl)-chloromercury
SMILESO=C(O)c1ccc([Hg]Cl)cc1
InChIInChI=1S/C7H5O2.ClH.Hg/c8-7(9)6-4-2-1-3-5-6;;/h2-5H,(H,8,9);1H;/q;;+1/p-1
InChIKeyYFZOUMNUDGGHIW-UHFFFAOYSA-M
MW357.16 g/mol
LogP1.25
Rot. Bonds2

About (4-carboxyphenyl)-chloromercury

(4-carboxyphenyl)-chloromercury (PubChem CID 1730) has the molecular formula C7H5ClHgO2 and a molecular weight of 357.16 g/mol. Its IUPAC name is (4-carboxyphenyl)-chloromercury.

Molecular Properties

Compound Name(4-carboxyphenyl)-chloromercury
PubChem CID1730
Molecular FormulaC7H5ClHgO2
Molecular Weight357.16 g/mol
Exact Mass357.97
IUPAC Name(4-carboxyphenyl)-chloromercury
SMILESO=C(O)c1ccc([Hg]Cl)cc1
InChIInChI=1S/C7H5O2.ClH.Hg/c8-7(9)6-4-2-1-3-5-6;;/h2-5H,(H,8,9);1H;/q;;+1/p-1
InChIKeyYFZOUMNUDGGHIW-UHFFFAOYSA-M
XLogP1.25
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.16
LogP ≤ 51.25
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

Benzoic Acid
CID 243
Benzoyl Peroxide
CID 7187
Sodium Benzoate
CID 517055
Phthalic Acid
CID 1017
Methyl Benzoate
CID 7150
Terephthalic Acid
CID 7489
4-Chlorobenzoic Acid
CID 6318
Isophthalic Acid
CID 8496
P-Toluic Acid
CID 7470
2-Chlorobenzoic Acid
CID 8374
Potassium Benzoate
CID 23661960
2-Mercaptobenzoic Acid
CID 5443

Frequently Asked Questions

What is the IUPAC name of (4-carboxyphenyl)-chloromercury?
The IUPAC name of (4-carboxyphenyl)-chloromercury (CID 1730) is (4-carboxyphenyl)-chloromercury.
What is the SMILES notation for (4-carboxyphenyl)-chloromercury?
The canonical SMILES for (4-carboxyphenyl)-chloromercury is O=C(O)c1ccc([Hg]Cl)cc1.
What is the InChIKey of (4-carboxyphenyl)-chloromercury?
The InChIKey is YFZOUMNUDGGHIW-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H5O2.ClH.Hg/c8-7(9)6-4-2-1-3-5-6;;/h2-5H,(H,8,9);1H;/q;;+1/p-1.
What are the key properties of (4-carboxyphenyl)-chloromercury?
(4-carboxyphenyl)-chloromercury has a molecular weight of 357.16 g/mol, XLogP of 1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-carboxyphenyl)-chloromercury is sourced from PubChem (CID 1730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).