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Molecule
N-(2,4-Dichlorophenyl)Acetamide
CAS: 6975-29-7 · C8H7Cl2NO
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 6975-29-7
- Molecular Formula
- C8H7Cl2NO
- Molecular Mass
- 204.06 g/mol
Identifiers
CAS Registry Number
6975-29-7
SMILES
CC(O)=Nc1ccc(Cl)cc1Cl
InChI Key
GZSGTFDLLISMMA-UHFFFAOYSA-N
InChI
InChI=1S/C8H7Cl2NO/c1-5(12)11-8-3-2-6(9)4-7(8)10/h2-4H,1H3,(H,11,12)
Names and Synonyms
- N-(2,4-Dichlorophenyl)Acetamide Systematic Name
- Acetamide, N-(2,4-dichlorophenyl)- Synonym
- Acetanilide, 2′,4′-dichloro- Synonym
- N-(2,4-Dichlorophenyl)acetamide Synonym
- 2,4-Dichloroacetanilide Synonym
- 2′,4′-Dichloroacetanilide Synonym
- NSC 22365 Synonym
- N-Acetyl-2,4-dichloroaniline Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 204.06 g/mol | CAS Common Chemistry |
| 204.05599999999998 g/mol | RDKit | |
| 204.056 g/mol | RDKit | |
| 204.05 g/mol | chempirical lib | |
| Canonical SMILES | O=C(NC1=CC=C(Cl)C=C1Cl)C | CAS Common Chemistry |
| InChI | InChI=1S/C8H7Cl2NO/c1-5(12)11-8-3-2-6(9)4-7(8)10/h2-4H,1H3,(H,11,12) | CAS Common Chemistry |
| InChI Key | InChIKey=GZSGTFDLLISMMA-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 146.400078125 °C | CAS Common Chemistry |
| Name | N-(2,4-Dichlorophenyl)acetamide | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 32.59 Ų | RDKit |
| LogP | 3.601300000000001 | RDKit |
| 3.6013 | RDKit | |
| Molar Refractivity | 51.85980000000002 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.125 | RDKit |
| 0.12 | chempirical lib | |
| Exact Mass | 202.990469204 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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200 ppm
180
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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 = 204.06 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C8H7Cl2NO.
