(3-carboxy-2-chlorophenyl)mercury

C7H4ClHgO2 — CID 3029247

IUPAC(3-carboxy-2-chlorophenyl)mercury
SMILESO=C(O)c1cccc([Hg])c1Cl
InChIInChI=1S/C7H4ClO2.Hg/c8-6-4-2-1-3-5(6)7(9)10;/h1-3H,(H,9,10);
InChIKeyIQJUZLAWFNFBSJ-UHFFFAOYSA-N
MW356.15 g/mol
LogP1.21
Rot. Bonds1

About (3-carboxy-2-chlorophenyl)mercury

(3-carboxy-2-chlorophenyl)mercury (PubChem CID 3029247) has the molecular formula C7H4ClHgO2 and a molecular weight of 356.15 g/mol. Its IUPAC name is (3-carboxy-2-chlorophenyl)mercury.

Molecular Properties

Compound Name(3-carboxy-2-chlorophenyl)mercury
PubChem CID3029247
Molecular FormulaC7H4ClHgO2
Molecular Weight356.15 g/mol
Exact Mass356.96
IUPAC Name(3-carboxy-2-chlorophenyl)mercury
SMILESO=C(O)c1cccc([Hg])c1Cl
InChIInChI=1S/C7H4ClO2.Hg/c8-6-4-2-1-3-5(6)7(9)10;/h1-3H,(H,9,10);
InChIKeyIQJUZLAWFNFBSJ-UHFFFAOYSA-N
XLogP1.21
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.15
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 (3-carboxy-2-chlorophenyl)mercury?
The IUPAC name of (3-carboxy-2-chlorophenyl)mercury (CID 3029247) is (3-carboxy-2-chlorophenyl)mercury.
What is the SMILES notation for (3-carboxy-2-chlorophenyl)mercury?
The canonical SMILES for (3-carboxy-2-chlorophenyl)mercury is O=C(O)c1cccc([Hg])c1Cl.
What is the InChIKey of (3-carboxy-2-chlorophenyl)mercury?
The InChIKey is IQJUZLAWFNFBSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClO2.Hg/c8-6-4-2-1-3-5(6)7(9)10;/h1-3H,(H,9,10);.
What are the key properties of (3-carboxy-2-chlorophenyl)mercury?
(3-carboxy-2-chlorophenyl)mercury has a molecular weight of 356.15 g/mol, XLogP of 1.21, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-carboxy-2-chlorophenyl)mercury is sourced from PubChem (CID 3029247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).