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N-(4-Methoxy-2-Nitrophenyl)Acetamide
CAS: 119-81-3 | C9H10N2O4
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
119-81-3
Molecular Formula:
C9H10N2O4
Molecular Mass:
210.19 g/mol
Names and Synonyms:
N-(4-Methoxy-2-Nitrophenyl)Acetamide
Acetamide, N-(4-methoxy-2-nitrophenyl)-
p-Acetanisidide, 2′-nitro-
N-(4-Methoxy-2-nitrophenyl)acetamide
2′-Nitro-4′-methoxyacetanilide
4-Acetylamino-1-methoxy-3-nitrobenzene
4-Acetamido-1-methoxy-3-nitrobenzene
2′-Nitro-p-acetanisidide
4-Methoxy-2-nitroacetanilide
NSC 5516
Identifiers:
SMILES:
COc1ccc(N=C(C)O)c([N+](=O)[O-])c1
InChI:
InChI=1S/C9H10N2O4/c1-6(12)10-8-4-3-7(15-2)5-9(8)11(13)14/h3-5H,1-2H3,(H,10,12)
Key Properties
Melting Point
117 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
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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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 210.19 g/mol | CAS Common Chemistry |
| 210.189 g/mol | RDKit | |
| 210.0640568 g/mol | RDKit | |
| Canonical SMILES | O=C(NC1=CC=C(OC)C=C1N(=O)=O)C | CAS Common Chemistry |
| InChI | InChI=1S/C9H10N2O4/c1-6(12)10-8-4-3-7(15-2)5-9(8)11(13)14/h3-5H,1-2H3,(H,10,12) | CAS Common Chemistry |
| InChI Key | InChIKey=QGEGALJODPBPGR-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 117 °C | CAS Common Chemistry |
| Name | N-(4-Methoxy-2-nitrophenyl)acetamide | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 84.96 Ų | RDKit |
| LogP | 2.2112999999999996 | RDKit |
| Molar Refractivity | 55.04620000000001 | RDKit |
