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N-(2,4-Dichlorophenyl)Acetamide
CAS: 6975-29-7 | C8H7Cl2NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
6975-29-7
Molecular Formula:
C8H7Cl2NO
Molecular Mass:
204.06 g/mol
Names and Synonyms:
N-(2,4-Dichlorophenyl)Acetamide
Acetamide, N-(2,4-dichlorophenyl)-
Acetanilide, 2′,4′-dichloro-
N-(2,4-Dichlorophenyl)acetamide
2,4-Dichloroacetanilide
2′,4′-Dichloroacetanilide
NSC 22365
N-Acetyl-2,4-dichloroaniline
Identifiers:
SMILES:
CC(O)=Nc1ccc(Cl)cc1Cl
InChI:
InChI=1S/C8H7Cl2NO/c1-5(12)11-8-3-2-6(9)4-7(8)10/h2-4H,1H3,(H,11,12)
Key Properties
Melting Point
146.400078125 °C
CAS Common Chemistry
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 |
|---|
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 | 204.06 g/mol | CAS Common Chemistry |
| 204.05599999999998 g/mol | RDKit | |
| 202.990469204 g/mol | RDKit | |
| 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 |
| Molar Refractivity | 51.85980000000002 | RDKit |
