(3-amino-4-hydroxyphenyl)-chloromercury

C6H6ClHgNO — CID 24839999

IUPAC(3-amino-4-hydroxyphenyl)-chloromercury
SMILESNc1cc([Hg]Cl)ccc1O
InChIInChI=1S/C6H6NO.ClH.Hg/c7-5-3-1-2-4-6(5)8;;/h2-4,8H,7H2;1H;/q;;+1/p-1
InChIKeyFKHMZZNYENKIDK-UHFFFAOYSA-M
MW344.16 g/mol
LogP0.84
Rot. Bonds1

About (3-amino-4-hydroxyphenyl)-chloromercury

(3-amino-4-hydroxyphenyl)-chloromercury (PubChem CID 24839999) has the molecular formula C6H6ClHgNO and a molecular weight of 344.16 g/mol. Its IUPAC name is (3-amino-4-hydroxyphenyl)-chloromercury.

Molecular Properties

Compound Name(3-amino-4-hydroxyphenyl)-chloromercury
PubChem CID24839999
Molecular FormulaC6H6ClHgNO
Molecular Weight344.16 g/mol
Exact Mass344.98
IUPAC Name(3-amino-4-hydroxyphenyl)-chloromercury
SMILESNc1cc([Hg]Cl)ccc1O
InChIInChI=1S/C6H6NO.ClH.Hg/c7-5-3-1-2-4-6(5)8;;/h2-4,8H,7H2;1H;/q;;+1/p-1
InChIKeyFKHMZZNYENKIDK-UHFFFAOYSA-M
XLogP0.84
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.16
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3-amino-4-hydroxyphenyl)-chloromercury?
The IUPAC name of (3-amino-4-hydroxyphenyl)-chloromercury (CID 24839999) is (3-amino-4-hydroxyphenyl)-chloromercury.
What is the SMILES notation for (3-amino-4-hydroxyphenyl)-chloromercury?
The canonical SMILES for (3-amino-4-hydroxyphenyl)-chloromercury is Nc1cc([Hg]Cl)ccc1O.
What is the InChIKey of (3-amino-4-hydroxyphenyl)-chloromercury?
The InChIKey is FKHMZZNYENKIDK-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H6NO.ClH.Hg/c7-5-3-1-2-4-6(5)8;;/h2-4,8H,7H2;1H;/q;;+1/p-1.
What are the key properties of (3-amino-4-hydroxyphenyl)-chloromercury?
(3-amino-4-hydroxyphenyl)-chloromercury has a molecular weight of 344.16 g/mol, XLogP of 0.84, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-4-hydroxyphenyl)-chloromercury is sourced from PubChem (CID 24839999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).