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Mecoprop
CAS: 93-65-2 | C10H11ClO3
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
93-65-2
Molecular Formula:
C10H11ClO3
Molecular Mass:
214.65 g/mol
Names and Synonyms:
Mecoprop
Propanoic acid, 2-(4-chloro-2-methylphenoxy)-
Propionic acid, 2-[(4-chloro-o-tolyl)oxy]-
2-(4-Chloro-2-methylphenoxy)propanoic acid
α-(2-Methyl-4-chlorophenoxy)propionic acid
2-(2-Methyl-4-chlorophenoxy)propionic acid
2-(4-Chloro-2-methylphenoxy)propionic acid
2-(p-Chloro-o-tolyloxy)propionic acid
2-(2-Methyl-4-chlorophenoxy)propanoic acid
2M4KhP
Anicon B
2-(4-Chloro-o-tolyloxy)propionic acid
(±)-2-(4-Chloro-2-methylphenoxy)propionic acid
Mecoprop
Isocarnox
MCPP
CMPP
Mechlorprop
Rankotex
Compitox
Anicon P
Celatox CMPP
Okultin MP
(±)-2-(4-Chloro-2-methylphenoxy)propanoic acid
SYS 67 Mecmin
U 46 KV Fluid
Morogal
(±)-Mecoprop
NSC 60282
MCPP (herbicide)
Identifiers:
SMILES:
Cc1cc(Cl)ccc1OC(C)C(=O)O
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)
Key Properties
Boiling Point
298 °C
CAS Common Chemistry
Melting Point
94-95 °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 | 214.65 g/mol | CAS Common Chemistry |
| 214.648 g/mol | RDKit | |
| 214.039671892 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Mecoprop | CAS Common Chemistry |
| 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 |
| Molar Refractivity | 53.91480000000002 | RDKit |
