Back to Search
Boron Arsenide
CAS: 12005-69-5 | AsB
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
12005-69-5
Molecular Formula:
AsB
Molecular Mass:
85.73 g/mol
Names and Synonyms:
Boron Arsenide
Boron arsenide (BAs)
Arsenic boride (BAs)
Boron monoarsenide
Identifiers:
SMILES:
B#[As]
InChI:
InChI=1S/AsB/c1-2
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 | 85.73 g/mol | CAS Common Chemistry |
| 85.734 g/mol | RDKit | |
| 85.93090190000001 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Boron_arsenide | CAS Common Chemistry |
| Canonical SMILES | B#[As] | CAS Common Chemistry |
| InChI | InChI=1S/AsB/c1-2 | CAS Common Chemistry |
| InChI Key | InChIKey=DBKNIEBLJMAJHX-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Boron arsenide (BAs) | CAS Common Chemistry |
| Boron arsenide | 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 | -0.7616 | RDKit |
| Molar Refractivity | 11.508 | RDKit |
