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Molecule
Molybdenum Boride (Mob)
CAS: 12006-98-3 · BMo
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 12006-98-3
- Molecular Formula
- BMo
- Molecular Mass
- 106.752 g/mol
Identifiers
CAS Registry Number
12006-98-3
SMILES
[B].[Mo]
InChI Key
LGLOITKZTDVGOE-UHFFFAOYSA-N
InChI
InChI=1S/B.Mo
Names and Synonyms
- Molybdenum Boride (Mob) Common Name
- Molybdenum boride (MoB) Synonym
- Molybdenum monoboride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Density | 8.77 g/cm³ | CAS Common Chemistry |
| 8.77 g/cm3 | CAS Common Chemistry | |
| Canonical SMILES | B#[Mo] | CAS Common Chemistry |
| InChI | InChI=1S/B.Mo | CAS Common Chemistry |
| InChI Key | InChIKey=LGLOITKZTDVGOE-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Molybdenum boride (MoB) | CAS Common Chemistry |
| Molecular Mass | 106.752 g/mol | RDKit |
| 108.9147136 g/mol | RDKit | |
| 111.8 g/mol | chempirical lib | |
| Heavy Atom Count | 2 | 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 | -0.38330000000000003 | RDKit |
| -0.3833 | RDKit | |
| Molar Refractivity | 5.754 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 106.75 g/mol | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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0 ppm
| Shift (ppm) | DEPT | Assignment |
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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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Quick conversion
MW = 106.75 g/mol; density = 8.770 g/mL. Edit any field — others recompute live.
