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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 Mass:
62.81 g/mol
Names and Synonyms:
Chromium(Iii) Boride
Chromium boride (CrB)
Chromium monoboride
Identifiers:
SMILES:
[B].[Cr]
InChI:
InChI=1S/B.Cr
Key Properties
Density
6.14 g/cm³
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 62.81 g/mol | CAS Common Chemistry |
| 62.808 g/mol | RDKit | |
| 62.949812900000005 g/mol | RDKit | |
| Density | 6.14 g/cm³ | CAS Common Chemistry |
| 6.14 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Chromium(III)_boride | CAS Common Chemistry |
| Canonical SMILES | B#[Cr] | CAS Common Chemistry |
| InChI | InChI=1S/B.Cr | CAS Common Chemistry |
| InChI Key | InChIKey=NUEWEVRJMWXXFB-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Chromium boride (CrB) | CAS Common Chemistry |
| Chromium(III) boride | CAS Common Chemistry | |
| 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 |
| Molar Refractivity | 5.754 | RDKit |
