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Molecule
Alachlor
CAS: 15972-60-8 · C14H20ClNO2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 15972-60-8
- Molecular Formula
- C14H20ClNO2
- Molecular Mass
- 269.77 g/mol
Identifiers
CAS Registry Number
15972-60-8
SMILES
CCc1cccc(CC)c1N(COC)C(=O)CCl
InChI Key
XCSGPAVHZFQHGE-UHFFFAOYSA-N
InChI
InChI=1S/C14H20ClNO2/c1-4-11-7-6-8-12(5-2)14(11)16(10-18-3)13(17)9-15/h6-8H,4-5,9-10H2,1-3H3
Names and Synonyms
- Alachlor Synonym
- Acetamide, 2-chloro-N-(2,6-diethylphenyl)-N-(methoxymethyl)- Synonym
- Acetanilide, 2-chloro-2′,6′-diethyl-N-(methoxymethyl)- Synonym
- 2-Chloro-N-(2,6-diethylphenyl)-N-(methoxymethyl)acetamide Synonym
- CP 50144 Synonym
- Lasso Synonym
- 2-Chloro-2′,6′-diethyl-N-methoxymethylacetanilide Synonym
- 2′,6′-Diethyl-N-(methoxymethyl)-2-chloroacetanilide Synonym
- Alachlor Synonym
- Metachlor Synonym
- Methachlor Synonym
- Lasagrin Synonym
- Nitala Synonym
- Alapaz Synonym
- Satochlor Synonym
- Lazo Synonym
- Perfect Synonym
- Micro-Tech Synonym
- Alanex Synonym
- Perfect (herbicide) Synonym
- Lasso Microtech Synonym
- Intrro Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 269.77 g/mol | CAS Common Chemistry |
| 269.77199999999993 g/mol | RDKit | |
| 269.772 g/mol | RDKit | |
| 269.769 g/mol | chempirical lib | |
| Density | 1.13 g/cm³ | CAS Common Chemistry |
| 1.133 g/cm3 @ 25 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Alachlor | CAS Common Chemistry |
| Boiling Point | 100 °C | CAS Common Chemistry |
| Canonical SMILES | O=C(N(C=1C(=CC=CC1CC)CC)COC)CCl | CAS Common Chemistry |
| InChI | InChI=1S/C14H20ClNO2/c1-4-11-7-6-8-12(5-2)14(11)16(10-18-3)13(17)9-15/h6-8H,4-5,9-10H2,1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=XCSGPAVHZFQHGE-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 40-41 °C | CAS Common Chemistry |
| Name | Alachlor | 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 | 2.9871000000000016 | RDKit |
| 2.9871 | RDKit | |
| Molar Refractivity | 75.28000000000004 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; density = 1.130 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C14H20ClNO2.
