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Molecule
2-Chloro-N-Methoxy-N-Methylacetamide
CAS: 67442-07-3 · C4H8ClNO2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 67442-07-3
- Molecular Formula
- C4H8ClNO2
- Molecular Mass
- 137.57 g/mol
Identifiers
CAS Registry Number
67442-07-3
SMILES
CON(C)C(=O)CCl
InChI Key
SCOJKGRNQDKFRP-UHFFFAOYSA-N
InChI
InChI=1S/C4H8ClNO2/c1-6(8-2)4(7)3-5/h3H2,1-2H3
Names and Synonyms
- 2-Chloro-N-Methoxy-N-Methylacetamide Synonym
- Acetamide, 2-chloro-N-methoxy-N-methyl- Synonym
- 2-Chloro-N-methoxy-N-methylacetamide Synonym
- N-Methoxy-N-methylchloroacetamide Synonym
- α-Chloro-N-methoxy-N-methylacetamide Synonym
- N-Methyl-N-methoxy-2-chloroacetamide Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 137.57 g/mol | CAS Common Chemistry |
| 137.56599999999997 g/mol | RDKit | |
| 137.566 g/mol | RDKit | |
| 137.563 g/mol | chempirical lib | |
| Canonical SMILES | O=C(N(OC)C)CCl | CAS Common Chemistry |
| InChI | InChI=1S/C4H8ClNO2/c1-6(8-2)4(7)3-5/h3H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=SCOJKGRNQDKFRP-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 38.1-39.0 °C | CAS Common Chemistry |
| Name | 2-Chloro-N-methoxy-N-methylacetamide | CAS Common Chemistry |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 29.54 Ų | RDKit |
| 29.31 Ų | chempirical lib | |
| LogP | 0.24499999999999988 | RDKit |
| 0.245 | RDKit | |
| Molar Refractivity | 30.498999999999988 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.75 | RDKit |
| Exact Mass | 137.024356176 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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0 ppm
| 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 = 137.57 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C4H8ClNO2.
