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6-Bromo-2-Naphthalenol
CAS: 15231-91-1 | C10H7BrO
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
15231-91-1
Molecular Formula:
C10H7BrO
Molecular Mass:
223.07 g/mol
Names and Synonyms:
6-Bromo-2-Naphthalenol
2-Naphthalenol, 6-bromo-
2-Naphthol, 6-bromo-
6-Bromo-2-naphthalenol
6-Bromo-β-naphthol
6-Bromo-2-naphthol
2-Bromo-6-hydroxynaphthalene
6-Bromo-2-hydroxynaphthalene
2-Hydroxy-6-bromonaphthalene
6-Hydroxy-2-bromonaphthalene
2-Bromo-6-naphthol
6-Bromo-2-naphthalinol
NSC 17563
Identifiers:
SMILES:
Oc1ccc2cc(Br)ccc2c1
InChI:
InChI=1S/C10H7BrO/c11-9-3-1-8-6-10(12)4-2-7(8)5-9/h1-6,12H
Key Properties
Melting Point
127-128 °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 | 223.07 g/mol | CAS Common Chemistry |
| 223.069 g/mol | RDKit | |
| 221.968026944 g/mol | RDKit | |
| Canonical SMILES | BrC=1C=CC2=CC(O)=CC=C2C1 | CAS Common Chemistry |
| InChI | InChI=1S/C10H7BrO/c11-9-3-1-8-6-10(12)4-2-7(8)5-9/h1-6,12H | CAS Common Chemistry |
| InChI Key | InChIKey=YLDFTMJPQJXGSS-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 127-128 °C | CAS Common Chemistry |
| Name | 6-Bromo-2-naphthalenol | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 20.23 Ų | RDKit |
| LogP | 3.307900000000002 | RDKit |
| Molar Refractivity | 53.312800000000024 | RDKit |
