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Naphthol As
CAS: 92-77-3 | C17H13NO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 92-77-3
- Molecular Formula
- C17H13NO2
- Molecular Mass
- 263.30 g/mol
Identifiers
CAS Registry Number
92-77-3
SMILES
OC(=Nc1ccccc1)c1cc2ccccc2cc1O
InChI Key
JFGQHAHJWJBOPD-UHFFFAOYSA-N
InChI
InChI=1S/C17H13NO2/c19-16-11-13-7-5-4-6-12(13)10-15(16)17(20)18-14-8-2-1-3-9-14/h1-11,19H,(H,18,20)
Names and Synonyms
- Naphthol As Synonym
- 2-Naphthalenecarboxamide, 3-hydroxy-N-phenyl- Synonym
- 2-Naphthanilide, 3-hydroxy- Synonym
- 3-Hydroxy-N-phenyl-2-naphthalenecarboxamide Synonym
- C.I. 37505 Synonym
- Acco Naphthol AS Synonym
- Acna Naphthol C Synonym
- Amanil Naphthol AS Synonym
- Anthonaphthol AS Synonym
- Azoground AS Synonym
- Azonaphthol A Synonym
- Azotol A Synonym
- Brenthol AS Synonym
- Celcot RF Synonym
- Cibanaphthol RF Synonym
- C.I. Azoic Coupling Component 2 Synonym
- Diathol AS Synonym
- Diathol ASF Synonym
- Dragonthol A Synonym
- Hiltonaphthol AS Synonym
- Kambothol AS Synonym
- Lake Developer A Synonym
- Mitsui Naphthozol AS Synonym
- Naftolo MM Synonym
- Naphthanilide OL Supra Synonym
- Naphtanilide RC Synonym
- Naphthanilide RC Supra Synonym
- Naphthazol A Synonym
- Naphthoide AS Synonym
- Naphthoide AS No. 100 Synonym
- Naphthol ACNA C Synonym
- Naphtholate AS Synonym
- Naphthol AS Supra Synonym
- Naphtoelan A Synonym
- Naphtol AS Synonym
- Solunaptol A Synonym
- Tulathol AS Synonym
- Ultrazol I-AS Synonym
- Naphthanil AS Synonym
- 3-Hydroxy-2-naphthanilide Synonym
- 3-(N-Phenylcarbamoyl)-2-naphthol Synonym
- Naphthol AS Synonym
- 2-Hydroxy-3-naphthanilide Synonym
- 2-Hydroxy-3-naphthoic anilide Synonym
- 2-Hydroxy-3-naphthalenecarboxanilide Synonym
- 2-Hydroxy-3-naphthoic acid anilide Synonym
- Naphtol AS-A Synonym
- 3-Hydroxy-2-naphthalenecarboxanilide Synonym
- 2-Naphthol-3-carboxylic acid N-phenylamide Synonym
- Amarthol AS Synonym
- 3-Hydroxy-N-phenyl-2-naphthamide Synonym
- 2-Hydroxy-N-phenyl-3-naphthalenecarboxamide Synonym
- 3-Hydroxy-2-naphthoic acid anilide Synonym
- Aquafine Red E 9 Synonym
- 2-Hydroxy-3-(phenylcarbamoyl)naphthalene Synonym
- α-Naphthol AS Synonym
- N-Phenyl-2-hydroxy-3-naphthalenecarboxamide Synonym
- Azoic Coupling Component 2 Synonym
- Kako Grounder AS Synonym
- NSC 45173 Synonym
- 3-Hydroxyl-2-naphthanilide Synonym
- Anathol AS Synonym
- Dycosthol AS Synonym
- Hebeithol AS Synonym
- Napthol AS Synonym
- Naftol AS Synonym
- Conazoic Coupling B Synonym
- Kiwa Grounder AS Synonym
- Orange Base GC Synonym
- C.I. Azo Coupling Comp. 2 Synonym
- N-Phenyl-3-hydroxy-2-naphthamide Synonym
- 3-Hydroxy-2-naphthoanilide Synonym
- Sefen AS Synonym
- 3-Hydroxy-naphthalene-2-carboxylic acid phenylamide Synonym
- H 0313 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 263.30 g/mol | CAS Common Chemistry |
| 263.296 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Naphthol_AS | CAS Common Chemistry |
| Canonical SMILES | O=C(NC=1C=CC=CC1)C2=CC=3C=CC=CC3C=C2O | CAS Common Chemistry |
| InChI | InChI=1S/C17H13NO2/c19-16-11-13-7-5-4-6-12(13)10-15(16)17(20)18-14-8-2-1-3-9-14/h1-11,19H,(H,18,20) | CAS Common Chemistry |
| InChI Key | InChIKey=JFGQHAHJWJBOPD-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 296 °C (decomp) | CAS Common Chemistry |
| Name | 2-Hydroxy-3-naphthoic acid anilide | CAS Common Chemistry |
| Naphthol AS | CAS Common Chemistry | |
| Heavy Atom Count | 20 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 3 | RDKit |
| Topological Polar Surface Area | 52.82000000000001 Ų | RDKit |
| 52.82 Ų | RDKit | |
| LogP | 4.181700000000002 | RDKit |
| 4.1817 | RDKit | |
| Molar Refractivity | 80.88060000000004 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 263.094628656 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
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2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
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120
100
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40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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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 C17H13NO2.
