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Molecule
Mecoprop
CAS: 7085-19-0 · C10H11ClO3
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 7085-19-0
- Molecular Formula
- C10H11ClO3
- Molecular Mass
- 214.65 g/mol
Identifiers
CAS Registry Number
7085-19-0
SMILES
Cc1cc(Cl)ccc1OC(C)C(=O)O
InChI Key
WNTGYJSOUMFZEP-UHFFFAOYSA-N
InChI
InChI=1S/C10H11ClO3/c1-6-5-8(11)3-4-9(6)14-7(2)10(12)13/h3-5,7H,1-2H3,(H,12,13)
Names and Synonyms
- Mecoprop Common Name
- Propanoic acid, 2-(4-chloro-2-methylphenoxy)- Synonym
- Propionic acid, 2-[(4-chloro-o-tolyl)oxy]- Synonym
- 2-(4-Chloro-2-methylphenoxy)propanoic acid Synonym
- α-(2-Methyl-4-chlorophenoxy)propionic acid Synonym
- 2-(2-Methyl-4-chlorophenoxy)propionic acid Synonym
- 2-(4-Chloro-2-methylphenoxy)propionic acid Synonym
- 2-(p-Chloro-o-tolyloxy)propionic acid Synonym
- 2-(2-Methyl-4-chlorophenoxy)propanoic acid Synonym
- 2M4KhP Synonym
- Anicon B Synonym
- 2-(4-Chloro-o-tolyloxy)propionic acid Synonym
- (±)-2-(4-Chloro-2-methylphenoxy)propionic acid Synonym
- Mecoprop Synonym
- Isocarnox Synonym
- MCPP Synonym
- CMPP Synonym
- Mechlorprop Synonym
- Rankotex Synonym
- Compitox Synonym
- Anicon P Synonym
- Celatox CMPP Synonym
- Okultin MP Synonym
- (±)-2-(4-Chloro-2-methylphenoxy)propanoic acid Synonym
- SYS 67 Mecmin Synonym
- U 46 KV Fluid Synonym
- Morogal Synonym
- (±)-Mecoprop Synonym
- NSC 60282 Synonym
- MCPP (herbicide) Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 214.65 g/mol | CAS Common Chemistry |
| 214.648 g/mol | RDKit | |
| 214.645 g/mol | chempirical lib | |
| Boiling Point | 298 °C | CAS Common Chemistry |
| Canonical SMILES | O=C(O)C(OC1=CC=C(Cl)C=C1C)C | CAS Common Chemistry |
| InChI | InChI=1S/C10H11ClO3/c1-6-5-8(11)3-4-9(6)14-7(2)10(12)13/h3-5,7H,1-2H3,(H,12,13) | CAS Common Chemistry |
| InChI Key | InChIKey=WNTGYJSOUMFZEP-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 94-95 °C | CAS Common Chemistry |
| Name | Mecoprop | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 46.53 Ų | RDKit |
| LogP | 2.5003199999999994 | RDKit |
| 2.5003 | RDKit | |
| Molar Refractivity | 53.91480000000002 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.3 | RDKit |
| Exact Mass | 214.039671892 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.
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MW = 214.65 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C10H11ClO3.
