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3-Hydroxy-N-(3-Nitrophenyl)-2-Naphthalenecarboxamide
CAS: 135-65-9 | C17H12N2O4
2D Structure
3D Structure
Loading 3D structure...
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
2-Naphthalenecarboxamide, 3-hydroxy-N-(3-nitrophenyl)-
2-Naphthanilide, 3-hydroxy-3′-nitro-
3-Hydroxy-N-(3-nitrophenyl)-2-naphthalenecarboxamide
C.I. 37515
Acco Naphthol AS-BS
Acna Naphthol M
Amanil Naphthol AS-BS
Amarthol AS-BS
Anthonaphthol AS-BS
Azoground BS
Azoic Coupling Component 17
Azonaphtol MNA
Azotol MNA
Brenthol MN
Celcot RM
Cibanaphthol RM
C.I. Azoic Coupling Component 17
Daito Grounder BS
Diathol BS
Dragonthol BS
Hiltonaphthol AS-BS
3-Hydroxy-3′-nitro-2-naphthanilide
Irganaphthol RM
Kambothol ASBS
Mitsui Naphthozol BS
Naftolo MBS
Naphtanilide BS
Naphtazol B
Naphthanil BS
Naphthoide BS
Naphthol AS-BS Dispersible
Naphthol AS-BS Supra
Naphtoelan BS
Naphtol AS-BS
Naphtol AS-BS Supra
Naptanilide BS Supra
Solunaptol MNL
Tulathol AS-BS
Ultrazol IV-BS
Naphthol AS-BS
2-Hydroxy-3′-nitro-3-naphthanilide
2-Hydroxy-3-naphthoic acid 3-nitroanilide
2-Hydroxy-N-(3-nitrophenyl)-3-naphthamide
2-Hydroxy-3-naphthoic acid m-nitroanilide
NSC 37168
Conazoic AL
Scarlet Base VD
Anarthol AS-BS
Hebeithol AS-BS
Kiwa Grounder BS
Dycosthol AS-BS
Naftol AS-BS
Napthol ASBS
C.I. Azo Coupling Comp. 17
N-(3-Nitrophenyl)-3-hydroxynaphthalene-2-carboxamide
3-Hydroxy-N-(3-nitrophenyl)-2-naphthamide
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
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 |
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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 |
