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2-Naphthylboronic Acid
CAS: 32316-92-0 | C10H9BO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 32316-92-0
- Molecular Formula
- C10H9BO2
- Molecular Mass
- 171.992 g/mol
Identifiers
CAS Registry Number
32316-92-0
SMILES
OB(O)c1ccc2ccccc2c1
InChI Key
KPTRDYONBVUWPD-UHFFFAOYSA-N
InChI
InChI=1S/C10H9BO2/c12-11(13)10-6-5-8-3-1-2-4-9(8)7-10/h1-7,12-13H
Names and Synonyms
- 2-Naphthylboronic Acid Systematic Name
- Boronic acid, B-2-naphthalenyl- Synonym
- 2-Naphthaleneboronic acid Synonym
- Boronic acid, 2-naphthalenyl- Synonym
- B-2-Naphthalenylboronic acid Synonym
- 2-Naphthylboronic acid Synonym
- 2-Naphthylboric acid Synonym
- (2-Naphthalenyl)boronic acid Synonym
- Naphthalen-2-ylboronic acid Synonym
- (Naphthalene-2-yl)boronic acid Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Canonical SMILES | OB(O)C=1C=CC=2C=CC=CC2C1 | CAS Common Chemistry |
| InChI | InChI=1S/C10H9BO2/c12-11(13)10-6-5-8-3-1-2-4-9(8)7-10/h1-7,12-13H | CAS Common Chemistry |
| InChI Key | InChIKey=KPTRDYONBVUWPD-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 233-245 °C | CAS Common Chemistry |
| Name | 2-Naphthylboronic acid | CAS Common Chemistry |
| Molecular Mass | 171.992 g/mol | RDKit |
| 172.069559928 g/mol | RDKit | |
| 171.99 g/mol | chempirical lib | |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 40.46 Ų | RDKit |
| LogP | 0.5195999999999998 | RDKit |
| 0.5196 | RDKit | |
| Molar Refractivity | 53.77360000000002 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 171.99 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
Related
Related molecules
Other compounds with formula C10H9BO2.
