Barium Boride

CAS: 12046-08-1 · B6Ba

2D Structure

Loading 3D structure...

CAS Registry Number

12046-08-1

SMILES

[B].[B].[B].[B].[B].[B].[Ba]

InChI Key

DBNPLCUZNLSUCT-UHFFFAOYSA-N

InChI

InChI=1S/6B.Ba

Comprehensive physical and chemical properties

Property	Value	Source
Wikipedia Url	https://en.wikipedia.org/wiki/Barium_boride	CAS Common Chemistry
Canonical SMILES	B#[Ba](#B)(#B)(#B)(#B)#B	CAS Common Chemistry
InChI	InChI=1S/6B.Ba	CAS Common Chemistry
InChI Key	InChIKey=DBNPLCUZNLSUCT-UHFFFAOYSA-N	CAS Common Chemistry
Name	Barium boride (BaB6)	CAS Common Chemistry
Molecular Mass	202.2 g/mol	RDKit
	203.9610796 g/mol	RDKit
	222.347 g/mol	chempirical lib
Heavy Atom Count	7	RDKit
Hydrogen Bond Acceptors	0	RDKit
Hydrogen Bond Donors	0	RDKit
Rotatable Bonds	0	RDKit
Aromatic Ring Count	0	RDKit
Topological Polar Surface Area	0.0 Å²	RDKit
LogP	-2.6656000000000004	RDKit
	-2.6656	RDKit
Molar Refractivity	40.27799999999999 cm³/mol	RDKit
Ring Count	0	RDKit
Formal Charge	0	RDKit
Fraction Csp3	0.0	RDKit
Exact Mass	202.20 g/mol	CAS Common Chemistry

NMR, IR, and Mass spectral data

Predicting NMR spectra...

10 ppm 9 8 7 6 5 4 3 2 1 0 ppm

Shift (ppm)	Multiplicity	Integration	Assignment

200 ppm 180 160 140 120 100 80 60 40 20 0 ppm

Shift (ppm)	DEPT	Assignment

Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.

Convert

MW = 202.20 g/mol. Edit any field — others recompute live.

Mass (g) Moles (mmol) Moles (mol)