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3-Hydroxy-N-(3-Nitrophenyl)-2-Naphthalenecarboxamide
CAS: 135-65-9 | C17H12N2O4
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
135-65-9
Molecular Formula:
C17H12N2O4
Molecular Weight:
308.293 g/mol
Names and Synonyms:
3-Hydroxy-N-(3-Nitrophenyl)-2-Naphthalenecarboxamide
Synonym
2-Naphthalenecarboxamide, 3-hydroxy-N-(3-nitrophenyl)-
Synonym
2-Naphthanilide, 3-hydroxy-3′-nitro-
Synonym
3-Hydroxy-N-(3-nitrophenyl)-2-naphthalenecarboxamide
Synonym
C.I. 37515
Synonym
Acco Naphthol AS-BS
Synonym
Acna Naphthol M
Synonym
Amanil Naphthol AS-BS
Synonym
Amarthol AS-BS
Synonym
Anthonaphthol AS-BS
Synonym
Azoground BS
Synonym
Azoic Coupling Component 17
Synonym
Azonaphtol MNA
Synonym
Azotol MNA
Synonym
Brenthol MN
Synonym
Celcot RM
Synonym
Cibanaphthol RM
Synonym
C.I. Azoic Coupling Component 17
Synonym
Daito Grounder BS
Synonym
Diathol BS
Synonym
Dragonthol BS
Synonym
Hiltonaphthol AS-BS
Synonym
3-Hydroxy-3′-nitro-2-naphthanilide
Synonym
Irganaphthol RM
Synonym
Kambothol ASBS
Synonym
Mitsui Naphthozol BS
Synonym
Naftolo MBS
Synonym
Naphtanilide BS
Synonym
Naphtazol B
Synonym
Naphthanil BS
Synonym
Naphthoide BS
Synonym
Naphthol AS-BS Dispersible
Synonym
Naphthol AS-BS Supra
Synonym
Naphtoelan BS
Synonym
Naphtol AS-BS
Synonym
Naphtol AS-BS Supra
Synonym
Naptanilide BS Supra
Synonym
Solunaptol MNL
Synonym
Tulathol AS-BS
Synonym
Ultrazol IV-BS
Synonym
Naphthol AS-BS
Synonym
2-Hydroxy-3′-nitro-3-naphthanilide
Synonym
2-Hydroxy-3-naphthoic acid 3-nitroanilide
Synonym
2-Hydroxy-N-(3-nitrophenyl)-3-naphthamide
Synonym
2-Hydroxy-3-naphthoic acid m-nitroanilide
Synonym
NSC 37168
Synonym
Conazoic AL
Synonym
Scarlet Base VD
Synonym
Anarthol AS-BS
Synonym
Hebeithol AS-BS
Synonym
Kiwa Grounder BS
Synonym
Dycosthol AS-BS
Synonym
Naftol AS-BS
Synonym
Napthol ASBS
Synonym
C.I. Azo Coupling Comp. 17
Synonym
N-(3-Nitrophenyl)-3-hydroxynaphthalene-2-carboxamide
Synonym
3-Hydroxy-N-(3-nitrophenyl)-2-naphthamide
Synonym
Identifiers:
SMILES:
O=[N+]([O-])c1cccc(N=C(O)c2cc3ccccc3cc2O)c1
InChI:
InChI=1S/C17H12N2O4/c20-16-9-12-5-2-1-4-11(12)8-15(16)17(21)18-13-6-3-7-14(10-13)19(22)23/h1-10,20H,(H,18,21)
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
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2
1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
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20
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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.
All Properties
Comprehensive physical and chemical properties
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 308.29 g/mol | Legacy Database |
| cas-canonical-smile | O=C(NC1=CC=CC(=C1)N(=O)=O)C2=CC=3C=CC=CC3C=C2O None | Legacy Database |
| cas-inchi | InChI=1S/C17H12N2O4/c20-16-9-12-5-2-1-4-11(12)8-15(16)17(21)18-13-6-3-7-14(10-13)19(22)23/h1-10,20H,(H,18,21) None | Legacy Database |
| cas-inchi-key | InChIKey=YZJSKRBKHCLMQC-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 242-244 °C @ Solvent: Acetic acid None | Legacy Database |
| cas-name | 3-Hydroxy-N-(3-nitrophenyl)-2-naphthalenecarboxamide None | Legacy Database |
| LogP | 4.089900000000001 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 308.293 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 308.079706864 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 23 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 4 count | RDKit |
| Hydrogen Bond Donors | 2 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 3 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 3 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 95.96000000000001 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 87.53500000000003 | RDKit |