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Molecule
N-(2-Ethoxy-4-Nitrophenyl)Acetamide
CAS: 116496-76-5 · C10H12N2O4
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 116496-76-5
- Molecular Formula
- C10H12N2O4
- Molecular Mass
- 224.22 g/mol
Identifiers
CAS Registry Number
116496-76-5
SMILES
CCOc1cc([N+](=O)[O-])ccc1N=C(C)O
InChI Key
XZWVZJDHIDYKPB-UHFFFAOYSA-N
InChI
InChI=1S/C10H12N2O4/c1-3-16-10-6-8(12(14)15)4-5-9(10)11-7(2)13/h4-6H,3H2,1-2H3,(H,11,13)
Names and Synonyms
- N-(2-Ethoxy-4-Nitrophenyl)Acetamide Common Name
- Acetamide, N-(2-ethoxy-4-nitrophenyl)- Synonym
- N-(2-Ethoxy-4-nitrophenyl)acetamide Synonym
- 4-Acetamido-3-ethoxynitrobenzene Synonym
- 4-Acetamido-3-ethoxy-1-nitrobenzene Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 224.22 g/mol | CAS Common Chemistry |
| 224.216 g/mol | RDKit | |
| Canonical SMILES | O=C(NC1=CC=C(C=C1OCC)N(=O)=O)C | CAS Common Chemistry |
| InChI | InChI=1S/C10H12N2O4/c1-3-16-10-6-8(12(14)15)4-5-9(10)11-7(2)13/h4-6H,3H2,1-2H3,(H,11,13) | CAS Common Chemistry |
| InChI Key | InChIKey=XZWVZJDHIDYKPB-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 164-165 °C | CAS Common Chemistry |
| Name | N-(2-Ethoxy-4-nitrophenyl)acetamide | CAS Common Chemistry |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 84.96000000000001 Ų | RDKit |
| 84.96 Ų | RDKit | |
| 80.12 Ų | chempirical lib | |
| LogP | 2.6014 | RDKit |
| Molar Refractivity | 59.663200000000025 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.3 | RDKit |
| Exact Mass | 224.079706864 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.
External Resources
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MW = 224.22 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C10H12N2O4.
