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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
Names and Synonyms:
Acetochlor
Acetamide, 2-chloro-N-(ethoxymethyl)-N-(2-ethyl-6-methylphenyl)-
o-Acetotoluidide, 2-chloro-N-(ethoxymethyl)-6′-ethyl-
2-Chloro-N-(ethoxymethyl)-N-(2-ethyl-6-methylphenyl)acetamide
2-Chloro-N-(ethoxymethyl)-6′-ethyl-o-acetotoluidide
Acetochlor
MON 097
Nevirex
Azetochlor
2′-Ethyl-6′-methyl-N-(ethoxymethyl)-2-chloroacetanilide
MG 02
Harness
Acenit
Acetal
2-Methyl-6-ethyl-N-ethoxymethyl-2-chloroacetanilide
Riley
Acetal (herbicide)
Trophee
Henaisi
Guardian
Guardian (herbicide)
Trophy
Relay (herbicide)
Relay
Warrant
Acetor 50 EC
Surpass
2-Ethyl-6-methyl-N-(ethoxymethyl)-2-chloroacetylaniline
Identifiers:
SMILES:
CCOCN(C(=O)CCl)c1c(C)cccc1CC
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
Key Properties
Boiling Point
162 °C
CAS Common Chemistry
Melting Point
<0 °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 | 269.77 g/mol | CAS Common Chemistry |
| 269.772 g/mol | RDKit | |
| 269.11825656 g/mol | RDKit | |
| 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 |
| LogP | 3.1232200000000017 | RDKit |
| Molar Refractivity | 75.25600000000004 | RDKit |
