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Molecule
2-Chloro-N-(2-Methoxyphenyl)Acetamide
CAS: 55860-22-5 · C9H10ClNO2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 55860-22-5
- Molecular Formula
- C9H10ClNO2
- Molecular Mass
- 199.64 g/mol
Identifiers
CAS Registry Number
55860-22-5
SMILES
COc1ccccc1N=C(O)CCl
InChI Key
IBXYYSDKRPMGKD-UHFFFAOYSA-N
InChI
InChI=1S/C9H10ClNO2/c1-13-8-5-3-2-4-7(8)11-9(12)6-10/h2-5H,6H2,1H3,(H,11,12)
Names and Synonyms
- 2-Chloro-N-(2-Methoxyphenyl)Acetamide Synonym
- Acetamide, 2-chloro-N-(2-methoxyphenyl)- Synonym
- o-Acetanisidide, 2-chloro- Synonym
- 2-Chloro-N-(2-methoxyphenyl)acetamide Synonym
- 2-Chloro-o-acetanisidide Synonym
- N-Chloroacetyl-2-methoxyaniline Synonym
- N-(2-Anisyl)chloroacetamide Synonym
- NSC 8284 Synonym
- N-(2-Methoxyphenyl)-2-chloroacetamide Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 199.64 g/mol | CAS Common Chemistry |
| 199.63699999999997 g/mol | RDKit | |
| 199.637 g/mol | RDKit | |
| 199.634 g/mol | chempirical lib | |
| Canonical SMILES | O=C(NC=1C=CC=CC1OC)CCl | CAS Common Chemistry |
| InChI | InChI=1S/C9H10ClNO2/c1-13-8-5-3-2-4-7(8)11-9(12)6-10/h2-5H,6H2,1H3,(H,11,12) | CAS Common Chemistry |
| InChI Key | InChIKey=IBXYYSDKRPMGKD-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 51 °C @ Solvent: Ethanol | CAS Common Chemistry |
| Name | 2-Chloro-N-(2-methoxyphenyl)acetamide | CAS Common Chemistry |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 41.82 Ų | RDKit |
| LogP | 2.5220000000000002 | RDKit |
| 2.522 | RDKit | |
| Molar Refractivity | 53.437800000000024 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.2222 | RDKit |
| 0.22 | chempirical lib | |
| Exact Mass | 199.04000624 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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MW = 199.64 g/mol. Edit any field — others recompute live.
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