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2-Nitro-1-Naphthalenol
CAS: 607-24-9 | C10H7NO3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
607-24-9
Molecular Formula:
C10H7NO3
Molecular Mass:
189.17 g/mol
Names and Synonyms:
2-Nitro-1-Naphthalenol
1-Naphthalenol, 2-nitro-
1-Naphthol, 2-nitro-
2-Nitro-1-naphthalenol
2-Nitro-1-naphthol
1-Hydroxy-2-nitronaphthalene
NSC 43140
Identifiers:
SMILES:
O=[N+]([O-])c1ccc2ccccc2c1O
InChI:
InChI=1S/C10H7NO3/c12-10-8-4-2-1-3-7(8)5-6-9(10)11(13)14/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 | 189.17 g/mol | CAS Common Chemistry |
| 189.042593084 g/mol | RDKit | |
| Canonical SMILES | O=N(=O)C=1C=CC=2C=CC=CC2C1O | CAS Common Chemistry |
| InChI | InChI=1S/C10H7NO3/c12-10-8-4-2-1-3-7(8)5-6-9(10)11(13)14/h1-6,12H | CAS Common Chemistry |
| InChI Key | InChIKey=MUCCHGOWMZTLHK-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 127-128 °C | CAS Common Chemistry |
| Name | 2-Nitro-1-naphthalenol | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 63.370000000000005 Ų | RDKit |
| LogP | 2.453600000000001 | RDKit |
| Molar Refractivity | 52.267200000000024 | RDKit |
