lithium;magnesium;ethyl 5-bromo-3H-furan-3-ide-2-carboxylate;dichloride

C7H6BrCl2LiMgO3 — CID 134834803

IUPAClithium;magnesium;ethyl 5-bromo-3H-furan-3-ide-2-carboxylate;dichloride
SMILESCCOC(=O)c1[c-]cc(Br)o1.[Cl-].[Cl-].[Li+].[Mg+2]
InChIInChI=1S/C7H6BrO3.2ClH.Li.Mg/c1-2-10-7(9)5-3-4-6(8)11-5;;;;/h4H,2H2,1H3;2*1H;;/q-1;;;+1;+2/p-2
InChIKeyONRVBPAZYBRLDM-UHFFFAOYSA-L
MW320.18 g/mol
LogP-7.35
Rot. Bonds2

About lithium;magnesium;ethyl 5-bromo-3H-furan-3-ide-2-carboxylate;dichloride

lithium;magnesium;ethyl 5-bromo-3H-furan-3-ide-2-carboxylate;dichloride (PubChem CID 134834803) has the molecular formula C7H6BrCl2LiMgO3 and a molecular weight of 320.18 g/mol. Its IUPAC name is lithium;magnesium;ethyl 5-bromo-3H-furan-3-ide-2-carboxylate;dichloride.

Molecular Properties

Compound Namelithium;magnesium;ethyl 5-bromo-3H-furan-3-ide-2-carboxylate;dichloride
PubChem CID134834803
Molecular FormulaC7H6BrCl2LiMgO3
Molecular Weight320.18 g/mol
Exact Mass317.89
IUPAC Namelithium;magnesium;ethyl 5-bromo-3H-furan-3-ide-2-carboxylate;dichloride
SMILESCCOC(=O)c1[c-]cc(Br)o1.[Cl-].[Cl-].[Li+].[Mg+2]
InChIInChI=1S/C7H6BrO3.2ClH.Li.Mg/c1-2-10-7(9)5-3-4-6(8)11-5;;;;/h4H,2H2,1H3;2*1H;;/q-1;;;+1;+2/p-2
InChIKeyONRVBPAZYBRLDM-UHFFFAOYSA-L
XLogP-7.35
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.18
LogP ≤ 5-7.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

lithium;magnesium;diethyl 3H-furan-3-ide-2,5-dicarboxylate;dichloride
CID 134834542
magnesium;ethyl 2H-furan-2-ide-5-carboxylate;bromide
CID 11736667
magnesium;ethyl 3H-furan-3-ide-5-carboxylate;bromide
CID 15977216
magnesium;ethyl 2H-furan-2-ide-5-carboxylate;bromide
CID 54720987

Frequently Asked Questions

What is the IUPAC name of lithium;magnesium;ethyl 5-bromo-3H-furan-3-ide-2-carboxylate;dichloride?
The IUPAC name of lithium;magnesium;ethyl 5-bromo-3H-furan-3-ide-2-carboxylate;dichloride (CID 134834803) is lithium;magnesium;ethyl 5-bromo-3H-furan-3-ide-2-carboxylate;dichloride.
What is the SMILES notation for lithium;magnesium;ethyl 5-bromo-3H-furan-3-ide-2-carboxylate;dichloride?
The canonical SMILES for lithium;magnesium;ethyl 5-bromo-3H-furan-3-ide-2-carboxylate;dichloride is CCOC(=O)c1[c-]cc(Br)o1.[Cl-].[Cl-].[Li+].[Mg+2].
What is the InChIKey of lithium;magnesium;ethyl 5-bromo-3H-furan-3-ide-2-carboxylate;dichloride?
The InChIKey is ONRVBPAZYBRLDM-UHFFFAOYSA-L. The full InChI is InChI=1S/C7H6BrO3.2ClH.Li.Mg/c1-2-10-7(9)5-3-4-6(8)11-5;;;;/h4H,2H2,1H3;2*1H;;/q-1;;;+1;+2/p-2.
What are the key properties of lithium;magnesium;ethyl 5-bromo-3H-furan-3-ide-2-carboxylate;dichloride?
lithium;magnesium;ethyl 5-bromo-3H-furan-3-ide-2-carboxylate;dichloride has a molecular weight of 320.18 g/mol, XLogP of -7.35, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;magnesium;ethyl 5-bromo-3H-furan-3-ide-2-carboxylate;dichloride is sourced from PubChem (CID 134834803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).