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Chromium(Iii) Boride
CAS: 12006-79-0 | BCr
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
12006-79-0
Molecular Formula:
BCr
Molecular Weight:
62.808 g/mol
Names and Synonyms:
Chromium(Iii) Boride
Common Name
Chromium monoboride
Synonym
Chromium boride (CrB)
Synonym
Identifiers:
SMILES:
[B].[Cr]
InChI:
InChI=1S/B.Cr
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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| 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.
All Properties
Comprehensive physical and chemical properties
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 62.808 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 62.949812900000005 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 2 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 0 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 0.0 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | -0.38330000000000003 | RDKit |
| molecular_mass | 62.81 g/mol | Legacy Database |
| density | 6.14 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Chromium(III)_boride None | Legacy Database |
| cas-canonical-smile | B#[Cr] None | Legacy Database |
| cas-density | 6.14 g/cm3 None | Legacy Database |
| cas-inchi | InChI=1S/B.Cr None | Legacy Database |
| cas-inchi-key | InChIKey=NUEWEVRJMWXXFB-UHFFFAOYSA-N None | Legacy Database |
| cas-name | Chromium boride (CrB) None | Legacy Database |
| wikipedia-name | Chromium(III) boride None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 5.754 | RDKit |