(2-bromo-5-methoxycarbonylfuran-3-yl)-chloromercury

C6H4BrClHgO3 — CID 4524226

IUPAC(2-bromo-5-methoxycarbonylfuran-3-yl)-chloromercury
SMILESCOC(=O)c1cc([Hg]Cl)c(Br)o1
InChIInChI=1S/C6H4BrO3.ClH.Hg/c1-9-6(8)4-2-3-5(7)10-4;;/h2H,1H3;1H;/q;;+1/p-1
InChIKeyZWNIHKJURWQTEV-UHFFFAOYSA-M
MW440.04 g/mol
LogP1.69
Rot. Bonds2

About (2-bromo-5-methoxycarbonylfuran-3-yl)-chloromercury

(2-bromo-5-methoxycarbonylfuran-3-yl)-chloromercury (PubChem CID 4524226) has the molecular formula C6H4BrClHgO3 and a molecular weight of 440.04 g/mol. Its IUPAC name is (2-bromo-5-methoxycarbonylfuran-3-yl)-chloromercury.

Molecular Properties

Compound Name(2-bromo-5-methoxycarbonylfuran-3-yl)-chloromercury
PubChem CID4524226
Molecular FormulaC6H4BrClHgO3
Molecular Weight440.04 g/mol
Exact Mass439.87
IUPAC Name(2-bromo-5-methoxycarbonylfuran-3-yl)-chloromercury
SMILESCOC(=O)c1cc([Hg]Cl)c(Br)o1
InChIInChI=1S/C6H4BrO3.ClH.Hg/c1-9-6(8)4-2-3-5(7)10-4;;/h2H,1H3;1H;/q;;+1/p-1
InChIKeyZWNIHKJURWQTEV-UHFFFAOYSA-M
XLogP1.69
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.04
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 (2-bromo-5-methoxycarbonylfuran-3-yl)-chloromercury?
The IUPAC name of (2-bromo-5-methoxycarbonylfuran-3-yl)-chloromercury (CID 4524226) is (2-bromo-5-methoxycarbonylfuran-3-yl)-chloromercury.
What is the SMILES notation for (2-bromo-5-methoxycarbonylfuran-3-yl)-chloromercury?
The canonical SMILES for (2-bromo-5-methoxycarbonylfuran-3-yl)-chloromercury is COC(=O)c1cc([Hg]Cl)c(Br)o1.
What is the InChIKey of (2-bromo-5-methoxycarbonylfuran-3-yl)-chloromercury?
The InChIKey is ZWNIHKJURWQTEV-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H4BrO3.ClH.Hg/c1-9-6(8)4-2-3-5(7)10-4;;/h2H,1H3;1H;/q;;+1/p-1.
What are the key properties of (2-bromo-5-methoxycarbonylfuran-3-yl)-chloromercury?
(2-bromo-5-methoxycarbonylfuran-3-yl)-chloromercury has a molecular weight of 440.04 g/mol, XLogP of 1.69, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-5-methoxycarbonylfuran-3-yl)-chloromercury is sourced from PubChem (CID 4524226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).