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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:
171.99 g/mol
Names and Synonyms:
2-Naphthylboronic Acid
Boronic acid, B-2-naphthalenyl-
2-Naphthaleneboronic acid
Boronic acid, 2-naphthalenyl-
B-2-Naphthalenylboronic acid
2-Naphthylboronic acid
2-Naphthylboric acid
(2-Naphthalenyl)boronic acid
Naphthalen-2-ylboronic acid
(Naphthalene-2-yl)boronic acid
Identifiers:
SMILES:
OB(O)c1ccc2ccccc2c1
InChI:
InChI=1S/C10H9BO2/c12-11(13)10-6-5-8-3-1-2-4-9(8)7-10/h1-7,12-13H
Key Properties
Melting Point
233-245 °C
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 | 171.99 g/mol | CAS Common Chemistry |
| 171.992 g/mol | RDKit | |
| 172.069559928 g/mol | RDKit | |
| 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 |
| 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 |
| Molar Refractivity | 53.77360000000002 | RDKit |
