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Molecule
Tantalum Boride (Tab2)
CAS: 12007-35-1 · B2Ta
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 12007-35-1
- Molecular Formula
- B2Ta
- Molecular Mass
- 202.572 g/mol
Identifiers
CAS Registry Number
12007-35-1
SMILES
[B].[B].[Ta]
InChI Key
JEUVAEBWTRCMTB-UHFFFAOYSA-N
InChI
InChI=1S/2B.Ta
Names and Synonyms
- Tantalum Boride (Tab2) Common Name
- Tantalum boride (TaB2) Synonym
- Tantalum diboride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Canonical SMILES | B#[Ta]#B | CAS Common Chemistry |
| InChI | InChI=1S/2B.Ta | CAS Common Chemistry |
| InChI Key | InChIKey=JEUVAEBWTRCMTB-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Tantalum boride (TaB2) | CAS Common Chemistry |
| Molecular Mass | 202.572 g/mol | RDKit |
| 202.9666066 g/mol | RDKit | |
| 213.656 g/mol | chempirical lib | |
| Heavy Atom Count | 3 | 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 Ų | RDKit |
| LogP | -0.7641 | RDKit |
| Molar Refractivity | 11.508 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 202.57 g/mol | CAS Common Chemistry |
Spectral Data
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.
External Resources
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MW = 202.57 g/mol. Edit any field — others recompute live.
