tris(barium(2+));hexabromide

Ba3Br6 — CID 172712457

IUPACtris(barium(2+));hexabromide
SMILES[Ba+2].[Ba+2].[Ba+2].[Br-].[Br-].[Br-].[Br-].[Br-].[Br-]
InChIInChI=1S/3Ba.6BrH/h;;;6*1H/q3*+2;;;;;;/p-6
InChIKeyFKSZUCRGRSAJMT-UHFFFAOYSA-H
MW891.41 g/mol
LogP-19.12
Rot. Bonds

About tris(barium(2+));hexabromide

tris(barium(2+));hexabromide (PubChem CID 172712457) has the molecular formula Ba3Br6 and a molecular weight of 891.41 g/mol. Its IUPAC name is tris(barium(2+));hexabromide.

Molecular Properties

Compound Nametris(barium(2+));hexabromide
PubChem CID172712457
Molecular FormulaBa3Br6
Molecular Weight891.41 g/mol
Exact Mass887.23
IUPAC Nametris(barium(2+));hexabromide
SMILES[Ba+2].[Ba+2].[Ba+2].[Br-].[Br-].[Br-].[Br-].[Br-].[Br-]
InChIInChI=1S/3Ba.6BrH/h;;;6*1H/q3*+2;;;;;;/p-6
InChIKeyFKSZUCRGRSAJMT-UHFFFAOYSA-H
XLogP-19.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500891.41
LogP ≤ 5-19.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

barium(2+) tribromide
CID 175750450
potassium;barium(2+);tribromide
CID 159262812
barium(2+);dibromide;hydrate
CID 45051710
chloranium;barium(2+);tribromide
CID 172832633
barium(2+);dibromide;tetrahydrate
CID 175768263
bis(iron(3+));hexabromide
CID 172997981
azane bromide
CID 20980684
azanide;bis(barium(2+))
CID 139047185
osmium(2+) tribromide
CID 19049955
uranium(2+) pentabromide
CID 21122236
tris(barium(2+));hydride
CID 173368443
bis(barium(2+));nickel(2+);hexahydroxide
CID 139140279

Frequently Asked Questions

What is the IUPAC name of tris(barium(2+));hexabromide?
The IUPAC name of tris(barium(2+));hexabromide (CID 172712457) is tris(barium(2+));hexabromide.
What is the SMILES notation for tris(barium(2+));hexabromide?
The canonical SMILES for tris(barium(2+));hexabromide is [Ba+2].[Ba+2].[Ba+2].[Br-].[Br-].[Br-].[Br-].[Br-].[Br-].
What is the InChIKey of tris(barium(2+));hexabromide?
The InChIKey is FKSZUCRGRSAJMT-UHFFFAOYSA-H. The full InChI is InChI=1S/3Ba.6BrH/h;;;6*1H/q3*+2;;;;;;/p-6.
What are the key properties of tris(barium(2+));hexabromide?
tris(barium(2+));hexabromide has a molecular weight of 891.41 g/mol, XLogP of -19.12, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tris(barium(2+));hexabromide is sourced from PubChem (CID 172712457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).