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Molecule
N-(4-Chlorophenyl)-3-Hydroxy-2-Naphthalenecarboxamide
CAS: 92-78-4 · C17H12ClNO2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 92-78-4
- Molecular Formula
- C17H12ClNO2
- Molecular Mass
- 297.74 g/mol
Identifiers
CAS Registry Number
92-78-4
SMILES
O=C(Nc1ccc(Cl)cc1)c1cc2ccccc2cc1O
InChI Key
OHAXNCGNVGGWSO-UHFFFAOYSA-N
InChI
InChI=1S/C17H12ClNO2/c18-13-5-7-14(8-6-13)19-17(21)15-9-11-3-1-2-4-12(11)10-16(15)20/h1-10,20H,(H,19,21)
Names and Synonyms
- N-(4-Chlorophenyl)-3-Hydroxy-2-Naphthalenecarboxamide Synonym
- 2-Naphthalenecarboxamide, N-(4-chlorophenyl)-3-hydroxy- Synonym
- Naphtol AS-E Supra Synonym
- Sanatol E Synonym
- Tulathol AS-E Synonym
- Naphthol AS-E Synonym
- Kako Grounder E Synonym
- NSC 50684 Synonym
- Napthol ASE Synonym
- Conazoic AO Synonym
- Kiwa Grounder E Synonym
- Anarthol AS-E Synonym
- Red RC Base Synonym
- Naftol AS-E Synonym
- Dycosthol AS-E Synonym
- 2-Naphthanilide, 4′-chloro-3-hydroxy- Synonym
- N-(4-Chlorophenyl)-3-hydroxy-2-naphthalenecarboxamide Synonym
- C.I. 37510 Synonym
- Acna Naphthol PC Synonym
- Amanil Naphthol AS-E Synonym
- Amarthol AS-E Synonym
- Azoic Coupling Component 10 Synonym
- 4′-Chloro-3-hydroxy-2-naphthanilide Synonym
- Cibanaphthol RC Synonym
- C.I. Azoic Coupling Component 10 Synonym
- Daito Grounder E Synonym
- Hiltonaphthol AS-E Synonym
- 3-Hydroxy-4′-chloro-2-naphthanilide Synonym
- Naphtanilide E Synonym
- Naphtazol E Synonym
- Naphthol ACNA PC Synonym
- Naphtoelan E Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 297.74 g/mol | CAS Common Chemistry |
| 297.74100000000004 g/mol | RDKit | |
| 297.741 g/mol | RDKit | |
| 297.738 g/mol | chempirical lib | |
| Canonical SMILES | O=C(NC1=CC=C(Cl)C=C1)C2=CC=3C=CC=CC3C=C2O | CAS Common Chemistry |
| InChI | InChI=1S/C17H12ClNO2/c18-13-5-7-14(8-6-13)19-17(21)15-9-11-3-1-2-4-12(11)10-16(15)20/h1-10,20H,(H,19,21) | CAS Common Chemistry |
| InChI Key | InChIKey=OHAXNCGNVGGWSO-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | N-(4-Chlorophenyl)-3-hydroxy-2-naphthalenecarboxamide | CAS Common Chemistry |
| Heavy Atom Count | 21 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 3 | RDKit |
| Topological Polar Surface Area | 49.33 Ų | RDKit |
| LogP | 4.451100000000003 | RDKit |
| 4.4511 | RDKit | |
| Molar Refractivity | 85.01800000000003 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 297.05565630399997 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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200 ppm
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| 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.
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MW = 297.74 g/mol. Edit any field — others recompute live.
