acetic acid;(2-bromo-4-mercurio-5-methoxycarbonylfuran-3-yl)mercury

C10H11BrHg2O7 — CID 4189460

IUPACacetic acid;(2-bromo-4-mercurio-5-methoxycarbonylfuran-3-yl)mercury
SMILESCC(=O)O.CC(=O)O.COC(=O)c1oc(Br)c([Hg])c1[Hg]
InChIInChI=1S/C6H3BrO3.2C2H4O2.2Hg/c1-9-6(8)4-2-3-5(7)10-4;2*1-2(3)4;;/h1H3;2*1H3,(H,3,4);;
InChIKeyYMYUWHJFMWECAZ-UHFFFAOYSA-N
MW724.27 g/mol
LogP0.35
Rot. Bonds1

About acetic acid;(2-bromo-4-mercurio-5-methoxycarbonylfuran-3-yl)mercury

acetic acid;(2-bromo-4-mercurio-5-methoxycarbonylfuran-3-yl)mercury (PubChem CID 4189460) has the molecular formula C10H11BrHg2O7 and a molecular weight of 724.27 g/mol. Its IUPAC name is acetic acid;(2-bromo-4-mercurio-5-methoxycarbonylfuran-3-yl)mercury.

Molecular Properties

Compound Nameacetic acid;(2-bromo-4-mercurio-5-methoxycarbonylfuran-3-yl)mercury
PubChem CID4189460
Molecular FormulaC10H11BrHg2O7
Molecular Weight724.27 g/mol
Exact Mass725.91
IUPAC Nameacetic acid;(2-bromo-4-mercurio-5-methoxycarbonylfuran-3-yl)mercury
SMILESCC(=O)O.CC(=O)O.COC(=O)c1oc(Br)c([Hg])c1[Hg]
InChIInChI=1S/C6H3BrO3.2C2H4O2.2Hg/c1-9-6(8)4-2-3-5(7)10-4;2*1-2(3)4;;/h1H3;2*1H3,(H,3,4);;
InChIKeyYMYUWHJFMWECAZ-UHFFFAOYSA-N
XLogP0.35
TPSA114.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500724.27
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze acetic acid;(2-bromo-4-mercurio-5-methoxycarbonylfuran-3-yl)mercury with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of acetic acid;(2-bromo-4-mercurio-5-methoxycarbonylfuran-3-yl)mercury?
The IUPAC name of acetic acid;(2-bromo-4-mercurio-5-methoxycarbonylfuran-3-yl)mercury (CID 4189460) is acetic acid;(2-bromo-4-mercurio-5-methoxycarbonylfuran-3-yl)mercury.
What is the SMILES notation for acetic acid;(2-bromo-4-mercurio-5-methoxycarbonylfuran-3-yl)mercury?
The canonical SMILES for acetic acid;(2-bromo-4-mercurio-5-methoxycarbonylfuran-3-yl)mercury is CC(=O)O.CC(=O)O.COC(=O)c1oc(Br)c([Hg])c1[Hg].
What is the InChIKey of acetic acid;(2-bromo-4-mercurio-5-methoxycarbonylfuran-3-yl)mercury?
The InChIKey is YMYUWHJFMWECAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3BrO3.2C2H4O2.2Hg/c1-9-6(8)4-2-3-5(7)10-4;2*1-2(3)4;;/h1H3;2*1H3,(H,3,4);;.
What are the key properties of acetic acid;(2-bromo-4-mercurio-5-methoxycarbonylfuran-3-yl)mercury?
acetic acid;(2-bromo-4-mercurio-5-methoxycarbonylfuran-3-yl)mercury has a molecular weight of 724.27 g/mol, XLogP of 0.35, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;(2-bromo-4-mercurio-5-methoxycarbonylfuran-3-yl)mercury is sourced from PubChem (CID 4189460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).