(4-aminophenoxy)mercury

C6H6HgNO — CID 161362227

IUPAC(4-aminophenoxy)mercury
SMILESNc1ccc(O[Hg])cc1
InChIInChI=1S/C6H7NO.Hg/c7-5-1-3-6(8)4-2-5;/h1-4,8H,7H2;/q;+1/p-1
InChIKeyMHNAUYBOTATGNF-UHFFFAOYSA-M
MW308.71 g/mol
LogP1.11
Rot. Bonds1

About (4-aminophenoxy)mercury

(4-aminophenoxy)mercury (PubChem CID 161362227) has the molecular formula C6H6HgNO and a molecular weight of 308.71 g/mol. Its IUPAC name is (4-aminophenoxy)mercury.

Molecular Properties

Compound Name(4-aminophenoxy)mercury
PubChem CID161362227
Molecular FormulaC6H6HgNO
Molecular Weight308.71 g/mol
Exact Mass310.02
IUPAC Name(4-aminophenoxy)mercury
SMILESNc1ccc(O[Hg])cc1
InChIInChI=1S/C6H7NO.Hg/c7-5-1-3-6(8)4-2-5;/h1-4,8H,7H2;/q;+1/p-1
InChIKeyMHNAUYBOTATGNF-UHFFFAOYSA-M
XLogP1.11
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.71
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-aminophenoxy)mercury?
The IUPAC name of (4-aminophenoxy)mercury (CID 161362227) is (4-aminophenoxy)mercury.
What is the SMILES notation for (4-aminophenoxy)mercury?
The canonical SMILES for (4-aminophenoxy)mercury is Nc1ccc(O[Hg])cc1.
What is the InChIKey of (4-aminophenoxy)mercury?
The InChIKey is MHNAUYBOTATGNF-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H7NO.Hg/c7-5-1-3-6(8)4-2-5;/h1-4,8H,7H2;/q;+1/p-1.
What are the key properties of (4-aminophenoxy)mercury?
(4-aminophenoxy)mercury has a molecular weight of 308.71 g/mol, XLogP of 1.11, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminophenoxy)mercury is sourced from PubChem (CID 161362227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).