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Molecule
Boron Arsenide
CAS: 12005-69-5 · AsB
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 12005-69-5
- Molecular Formula
- AsB
- Molecular Mass
- 85.734 g/mol
Identifiers
CAS Registry Number
12005-69-5
SMILES
B#[As]
InChI Key
DBKNIEBLJMAJHX-UHFFFAOYSA-N
InChI
InChI=1S/AsB/c1-2
Names and Synonyms
- Boron Arsenide Common Name
- Boron arsenide (BAs) Synonym
- Arsenic boride (BAs) Synonym
- Boron monoarsenide Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| 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 |
| Molecular Mass | 85.734 g/mol | RDKit |
| 85.93090190000001 g/mol | RDKit | |
| 85.732 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 | -0.7616 | RDKit |
| Molar Refractivity | 11.508 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 85.73 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 = 85.73 g/mol. Edit any field — others recompute live.
