Back to Search
Molecule
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
Identifiers
CAS Registry Number
607-24-9
SMILES
O=[N+]([O-])c1ccc2ccccc2c1O
InChI Key
MUCCHGOWMZTLHK-UHFFFAOYSA-N
InChI
InChI=1S/C10H7NO3/c12-10-8-4-2-1-3-7(8)5-6-9(10)11(13)14/h1-6,12H
Names and Synonyms
- 2-Nitro-1-Naphthalenol Systematic Name
- 1-Naphthalenol, 2-nitro- Synonym
- 1-Naphthol, 2-nitro- Synonym
- 2-Nitro-1-naphthalenol Synonym
- 2-Nitro-1-naphthol Synonym
- 1-Hydroxy-2-nitronaphthalene Synonym
- NSC 43140 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 189.17 g/mol | CAS Common Chemistry |
| 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 |
| 63.37 Ų | RDKit | |
| 58.53 Ų | chempirical lib | |
| LogP | 2.453600000000001 | RDKit |
| 2.4536 | RDKit | |
| Molar Refractivity | 52.267200000000024 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 189.042593084 g/mol | RDKit |
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
Convert
Quick conversion
MW = 189.17 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C10H7NO3.
