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Boron Phosphate
CAS: 13308-51-5 | BO4P
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
13308-51-5
Molecular Formula:
BO4P
Molecular Weight:
105.782 g/mol
Names and Synonyms:
Boron Phosphate
Boron phosphate (B(PO4))
Boron phosphate (1:1)
Boron orthophosphate
Boron phosphate
Budit 321
Budit 326
B 13-04
Identifiers:
SMILES:
O=P12OB(O1)O2
InChI:
InChI=1S/BO4P/c2-6-3-1(4-6)5-6
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 105.78 g/mol | Legacy Database |
| density | 2.82 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Boron_phosphate None | Legacy Database |
| cas-canonical-smile | O=P12OB(O1)O2 None | Legacy Database |
| cas-density | 2.82 g/cm3 None | Legacy Database |
| cas-inchi | InChI=1S/BO4P/c2-6-3-1(4-6)5-6 None | Legacy Database |
| cas-inchi-key | InChIKey=RKVCQBPDVHFKCU-UHFFFAOYSA-N None | Legacy Database |
| cas-name | Boron phosphate None | Legacy Database |
| wikipedia-name | Boron phosphate None | Legacy Database |
| LogP | 0.15639999999999987 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 105.782 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 105.96272551000001 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 6 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 4 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 | 44.760000000000005 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 16.6155 | RDKit |
