Tribromoiridium--water (1/1)
PubChem CID
16212879
Structure
Molecular Formula
Synonyms
- tribromoiridium;hydrate
- 317828-27-6
- Tribromoiridium--water (1/1)
- DTXSID70583719
- DTXCID30534484
Molecular Weight
449.94 g/mol
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Component Compounds
Dates
- Create:2007-07-12
- Modify:2024-12-28
Chemical Structure Depiction
Conformer generation is disallowed since MMFF94s unsupported element, mixture or salt
tribromoiridium;hydrate
Computed by LexiChem 2.6.6 (PubChem release 2019.06.18)
InChI=1S/3BrH.Ir.H2O/h3*1H;;1H2/q;;;+3;/p-3
Computed by InChI 1.0.5 (PubChem release 2019.06.18)
KBXXFKPVKJZGJG-UHFFFAOYSA-K
Computed by InChI 1.0.5 (PubChem release 2019.06.18)
O.Br[Ir](Br)Br
Computed by OEChem 2.1.5 (PubChem release 2019.06.18)
Br3H2IrO
Computed by PubChem 2.1 (PubChem release 2019.06.18)
317828-27-6
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
449.94 g/mol
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
Hydrogen Bond Donor Count
Property Value
1
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Hydrogen Bond Acceptor Count
Property Value
1
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Rotatable Bond Count
Property Value
0
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Exact Mass
Property Value
449.72645 Da
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
Monoisotopic Mass
Property Value
447.72850 Da
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
Topological Polar Surface Area
Property Value
1Ų
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Heavy Atom Count
Property Value
5
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
8
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Isotope Atom Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Covalently-Bonded Unit Count
Property Value
2
Reference
Computed by PubChem
Property Name
Compound Is Canonicalized
Property Value
Yes
Reference
Computed by PubChem (release 2010.01.29)
Follow these links to do a live 2D search or do a live 3D search for this compound, sorted by annotation score. This section is deprecated (see here for details), but these live search links provide equivalent functionality to the table that was previously shown here.
Mixtures, Components, and Neutralized Forms Count
Similar Compounds (2D)
Similar Conformers (3D)
Same Count
Patents are available for this chemical structure:
https://patentscope.wipo.int/search/en/result.jsf?inchikey=KBXXFKPVKJZGJG-UHFFFAOYSA-K
- EPA DSSToxTribromoiridium--water (1/1)https://comptox.epa.gov/dashboard/DTXSID70583719
- Springer Nature
- WikidataTribromoiridium--water (1/1)https://www.wikidata.org/wiki/Q82475322
- PubChem
- PATENTSCOPE (WIPO)SID 404247847https://pubchem.ncbi.nlm.nih.gov/substance/404247847
CONTENTS