bismuth;3,4,5,6-tetrabromobenzene-1,2-diolate;hydroxide

C6HBiBr4O3 — CID 10100751

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IUPACbismuth;3,4,5,6-tetrabromobenzene-1,2-diolate;hydroxide
SMILES[Bi+3].[O-]c1c([O-])c(Br)c(Br)c(Br)c1Br.[OH-]
InChIInChI=1S/C6H2Br4O2.Bi.H2O/c7-1-2(8)4(10)6(12)5(11)3(1)9;;/h11-12H;;1H2/q;+3;/p-3
InChIKeyVTAVFIZOZUAKKE-UHFFFAOYSA-K
MW649.67 g/mol
LogP2.33
Rot. Bonds

About bismuth;3,4,5,6-tetrabromobenzene-1,2-diolate;hydroxide

bismuth;3,4,5,6-tetrabromobenzene-1,2-diolate;hydroxide (PubChem CID 10100751) has the molecular formula C6HBiBr4O3 and a molecular weight of 649.67 g/mol. Its IUPAC name is bismuth;3,4,5,6-tetrabromobenzene-1,2-diolate;hydroxide.

Molecular Properties

Compound Namebismuth;3,4,5,6-tetrabromobenzene-1,2-diolate;hydroxide
PubChem CID10100751
Molecular FormulaC6HBiBr4O3
Molecular Weight649.67 g/mol
Exact Mass645.65
IUPAC Namebismuth;3,4,5,6-tetrabromobenzene-1,2-diolate;hydroxide
SMILES[Bi+3].[O-]c1c([O-])c(Br)c(Br)c(Br)c1Br.[OH-]
InChIInChI=1S/C6H2Br4O2.Bi.H2O/c7-1-2(8)4(10)6(12)5(11)3(1)9;;/h11-12H;;1H2/q;+3;/p-3
InChIKeyVTAVFIZOZUAKKE-UHFFFAOYSA-K
XLogP2.33
TPSA76.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500649.67
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

Pentabromophenol
CID 11852
Tetrabromocatechol
CID 61127
3,4,6-Tribromocatechol
CID 70696540
Keraform
CID 16683103
Hexabromphenol
CID 20201248
Hexabrom-resorcin
CID 129640754
CID 16683104
CID 16683104
Pentabromo(~2~H)phenol
CID 138396215
CID 18502874
CID 18502874
1,2,3,4,5-Pentabromo-6-(2,3,4,5,6-pentabromophenoxy)peroxybenzene
CID 21701106
1,2,3,4,5-Pentabromo-6-[2,3,4,5-tetrabromo-6-(2,3,4,5,6-pentabromophenyl)peroxyphenyl]peroxybenzene
CID 22481169
Sodium 2,3,4,5,6-pentabromophenolate
CID 23683708

Frequently Asked Questions

What is the IUPAC name of bismuth;3,4,5,6-tetrabromobenzene-1,2-diolate;hydroxide?
The IUPAC name of bismuth;3,4,5,6-tetrabromobenzene-1,2-diolate;hydroxide (CID 10100751) is bismuth;3,4,5,6-tetrabromobenzene-1,2-diolate;hydroxide.
What is the SMILES notation for bismuth;3,4,5,6-tetrabromobenzene-1,2-diolate;hydroxide?
The canonical SMILES for bismuth;3,4,5,6-tetrabromobenzene-1,2-diolate;hydroxide is [Bi+3].[O-]c1c([O-])c(Br)c(Br)c(Br)c1Br.[OH-].
What is the InChIKey of bismuth;3,4,5,6-tetrabromobenzene-1,2-diolate;hydroxide?
The InChIKey is VTAVFIZOZUAKKE-UHFFFAOYSA-K. The full InChI is InChI=1S/C6H2Br4O2.Bi.H2O/c7-1-2(8)4(10)6(12)5(11)3(1)9;;/h11-12H;;1H2/q;+3;/p-3.
What are the key properties of bismuth;3,4,5,6-tetrabromobenzene-1,2-diolate;hydroxide?
bismuth;3,4,5,6-tetrabromobenzene-1,2-diolate;hydroxide has a molecular weight of 649.67 g/mol, XLogP of 2.33, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bismuth;3,4,5,6-tetrabromobenzene-1,2-diolate;hydroxide is sourced from PubChem (CID 10100751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).