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Molecule
Acetochlor
CAS: 34256-82-1 · C14H20ClNO2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 34256-82-1
- Molecular Formula
- C14H20ClNO2
- Molecular Mass
- 269.77 g/mol
Identifiers
CAS Registry Number
34256-82-1
SMILES
CCOCN(C(=O)CCl)c1c(C)cccc1CC
InChI Key
VTNQPKFIQCLBDU-UHFFFAOYSA-N
InChI
InChI=1S/C14H20ClNO2/c1-4-12-8-6-7-11(3)14(12)16(10-18-5-2)13(17)9-15/h6-8H,4-5,9-10H2,1-3H3
Names and Synonyms
- Acetochlor Synonym
- Acetamide, 2-chloro-N-(ethoxymethyl)-N-(2-ethyl-6-methylphenyl)- Synonym
- o-Acetotoluidide, 2-chloro-N-(ethoxymethyl)-6′-ethyl- Synonym
- 2-Chloro-N-(ethoxymethyl)-N-(2-ethyl-6-methylphenyl)acetamide Synonym
- 2-Chloro-N-(ethoxymethyl)-6′-ethyl-o-acetotoluidide Synonym
- Acetochlor Synonym
- MON 097 Synonym
- Nevirex Synonym
- Azetochlor Synonym
- 2′-Ethyl-6′-methyl-N-(ethoxymethyl)-2-chloroacetanilide Synonym
- MG 02 Synonym
- Harness Synonym
- Acenit Synonym
- Acetal Synonym
- 2-Methyl-6-ethyl-N-ethoxymethyl-2-chloroacetanilide Synonym
- Riley Synonym
- Acetal (herbicide) Synonym
- Trophee Synonym
- Henaisi Synonym
- Guardian Synonym
- Guardian (herbicide) Synonym
- Trophy Synonym
- Relay (herbicide) Synonym
- Relay Synonym
- Warrant Synonym
- Acetor 50 EC Synonym
- Surpass Synonym
- 2-Ethyl-6-methyl-N-(ethoxymethyl)-2-chloroacetylaniline Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 269.77 g/mol | CAS Common Chemistry |
| 269.772 g/mol | RDKit | |
| 269.769 g/mol | chempirical lib | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Acetochlor | CAS Common Chemistry |
| Boiling Point | 162 °C | CAS Common Chemistry |
| Canonical SMILES | O=C(N(C=1C(=CC=CC1CC)C)COCC)CCl | CAS Common Chemistry |
| InChI | InChI=1S/C14H20ClNO2/c1-4-12-8-6-7-11(3)14(12)16(10-18-5-2)13(17)9-15/h6-8H,4-5,9-10H2,1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=VTNQPKFIQCLBDU-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | <0 °C | CAS Common Chemistry |
| Name | Acetochlor | CAS Common Chemistry |
| Heavy Atom Count | 18 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 29.54 Ų | RDKit |
| 29.31 Ų | chempirical lib | |
| LogP | 3.1232200000000017 | RDKit |
| 3.1232 | RDKit | |
| Molar Refractivity | 75.25600000000004 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5 | RDKit |
| Exact Mass | 269.11825656 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 = 269.77 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C14H20ClNO2.
