bis((3,5-dibromo-2-hydroxybenzoyl)oxidanium);manganese(2+)

C14H10Br4MnO6+4 — CID 4036118

IUPACbis((3,5-dibromo-2-hydroxybenzoyl)oxidanium);manganese(2+)
SMILESO=C([OH2+])c1cc(Br)cc(Br)c1O.O=C([OH2+])c1cc(Br)cc(Br)c1O.[Mn+2]
InChIInChI=1S/2C7H4Br2O3.Mn/c2*8-3-1-4(7(11)12)6(10)5(9)2-3;/h2*1-2,10H,(H,11,12);/q;;+2/p+2
InChIKeyPXJVFGYQVWVRLZ-UHFFFAOYSA-P
MW648.78 g/mol
LogP3.56
Rot. Bonds2

About bis((3,5-dibromo-2-hydroxybenzoyl)oxidanium);manganese(2+)

bis((3,5-dibromo-2-hydroxybenzoyl)oxidanium);manganese(2+) (PubChem CID 4036118) has the molecular formula C14H10Br4MnO6+4 and a molecular weight of 648.78 g/mol. Its IUPAC name is bis((3,5-dibromo-2-hydroxybenzoyl)oxidanium);manganese(2+).

Molecular Properties

Compound Namebis((3,5-dibromo-2-hydroxybenzoyl)oxidanium);manganese(2+)
PubChem CID4036118
Molecular FormulaC14H10Br4MnO6+4
Molecular Weight648.78 g/mol
Exact Mass644.66
IUPAC Namebis((3,5-dibromo-2-hydroxybenzoyl)oxidanium);manganese(2+)
SMILESO=C([OH2+])c1cc(Br)cc(Br)c1O.O=C([OH2+])c1cc(Br)cc(Br)c1O.[Mn+2]
InChIInChI=1S/2C7H4Br2O3.Mn/c2*8-3-1-4(7(11)12)6(10)5(9)2-3;/h2*1-2,10H,(H,11,12);/q;;+2/p+2
InChIKeyPXJVFGYQVWVRLZ-UHFFFAOYSA-P
XLogP3.56
TPSA120.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500648.78
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis((3,5-dibromo-2-hydroxybenzoyl)oxidanium);manganese(2+)?
The IUPAC name of bis((3,5-dibromo-2-hydroxybenzoyl)oxidanium);manganese(2+) (CID 4036118) is bis((3,5-dibromo-2-hydroxybenzoyl)oxidanium);manganese(2+).
What is the SMILES notation for bis((3,5-dibromo-2-hydroxybenzoyl)oxidanium);manganese(2+)?
The canonical SMILES for bis((3,5-dibromo-2-hydroxybenzoyl)oxidanium);manganese(2+) is O=C([OH2+])c1cc(Br)cc(Br)c1O.O=C([OH2+])c1cc(Br)cc(Br)c1O.[Mn+2].
What is the InChIKey of bis((3,5-dibromo-2-hydroxybenzoyl)oxidanium);manganese(2+)?
The InChIKey is PXJVFGYQVWVRLZ-UHFFFAOYSA-P. The full InChI is InChI=1S/2C7H4Br2O3.Mn/c2*8-3-1-4(7(11)12)6(10)5(9)2-3;/h2*1-2,10H,(H,11,12);/q;;+2/p+2.
What are the key properties of bis((3,5-dibromo-2-hydroxybenzoyl)oxidanium);manganese(2+)?
bis((3,5-dibromo-2-hydroxybenzoyl)oxidanium);manganese(2+) has a molecular weight of 648.78 g/mol, XLogP of 3.56, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis((3,5-dibromo-2-hydroxybenzoyl)oxidanium);manganese(2+) is sourced from PubChem (CID 4036118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).