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Molecule
2-Chloro-N-(2,6-Dimethylphenyl)Acetamide
CAS: 1131-01-7 · C10H12ClNO
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 1131-01-7
- Molecular Formula
- C10H12ClNO
- Molecular Mass
- 197.67 g/mol
Identifiers
CAS Registry Number
1131-01-7
SMILES
Cc1cccc(C)c1N=C(O)CCl
InChI Key
FPQQSNUTBWFFLB-UHFFFAOYSA-N
InChI
InChI=1S/C10H12ClNO/c1-7-4-3-5-8(2)10(7)12-9(13)6-11/h3-5H,6H2,1-2H3,(H,12,13)
Names and Synonyms
- 2-Chloro-N-(2,6-Dimethylphenyl)Acetamide Systematic Name
- Acetamide, 2-chloro-N-(2,6-dimethylphenyl)- Synonym
- 2′,6′-Acetoxylidide, 2-chloro- Synonym
- 2-Chloro-N-(2,6-dimethylphenyl)acetamide Synonym
- 2-Chloro-2′,6′-dimethylacetanilide Synonym
- Chloroacetamido-2,6-xylidine Synonym
- Chloroaceto-2,6-xylidide Synonym
- 2-Chloroaceto-2,6-xylidide Synonym
- 2-Chloro-2′,6′-acetoxylidide Synonym
- N-Chloroacetyl-2,6-dimethylaniline Synonym
- 1-Chloroacetylamino-2,6-dimethylbenzene Synonym
- 2′,6′-Dimethyl-2-chloroacetanilide Synonym
- N-(2,6-Xylyl)chloroacetamide Synonym
- N-(2,6-Dimethylphenyl)-2-chloroacetamide Synonym
- N-(2,6-Dimethylphenyl)chloroacetamide Synonym
- NSC 37260 Synonym
- N-(2,6-Dimethylphenyl)-2-chloroethanamide Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 197.67 g/mol | CAS Common Chemistry |
| 197.665 g/mol | RDKit | |
| 197.662 g/mol | chempirical lib | |
| Canonical SMILES | O=C(NC=1C(=CC=CC1C)C)CCl | CAS Common Chemistry |
| InChI | InChI=1S/C10H12ClNO/c1-7-4-3-5-8(2)10(7)12-9(13)6-11/h3-5H,6H2,1-2H3,(H,12,13) | CAS Common Chemistry |
| InChI Key | InChIKey=FPQQSNUTBWFFLB-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 145-146 °C | CAS Common Chemistry |
| Name | 2-Chloro-N-(2,6-dimethylphenyl)acetamide | CAS Common Chemistry |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 32.59 Ų | RDKit |
| LogP | 3.1302400000000015 | RDKit |
| 3.1302 | RDKit | |
| Molar Refractivity | 56.35980000000002 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.3 | RDKit |
| Exact Mass | 197.060741684 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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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 = 197.67 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C10H12ClNO.
