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Molecule
Mcpa
CAS: 94-74-6 · C9H9ClO3
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 94-74-6
- Molecular Formula
- C9H9ClO3
- Molecular Mass
- 200.62 g/mol
Identifiers
CAS Registry Number
94-74-6
SMILES
Cc1cc(Cl)ccc1OCC(=O)O
InChI Key
WHKUVVPPKQRRBV-UHFFFAOYSA-N
InChI
InChI=1S/C9H9ClO3/c1-6-4-7(10)2-3-8(6)13-5-9(11)12/h2-4H,5H2,1H3,(H,11,12)
Names and Synonyms
- Mcpa Common Name
- MCP Synonym
- Acetic acid, 2-(4-chloro-2-methylphenoxy)- Synonym
- Acetic acid, [(4-chloro-o-tolyl)oxy]- Synonym
- Acetic acid, (4-chloro-2-methylphenoxy)- Synonym
- Acetic acid, (4-chloro-o-toloxy)- Synonym
- 2-(4-Chloro-2-methylphenoxy)acetic acid Synonym
- Agroxone Synonym
- (4-Chloro-2-methylphenoxy)acetic acid Synonym
- Herbicide M Synonym
- Leuna M Synonym
- Methoxone Synonym
- (2-Methyl-4-chlorophenoxy)acetic acid Synonym
- Mephanac Synonym
- Agroxon Synonym
- Hedonal M Synonym
- 2M4Kh Synonym
- MCPA Synonym
- [(4-Chloro-o-tolyl)oxy]acetic acid Synonym
- 2,4-MCPA Synonym
- Anicon kombi Synonym
- Anicon M Synonym
- B-Selektonon M Synonym
- Dicopur M Synonym
- Emcepan Synonym
- Hedapur M 52 Synonym
- Hedarex M Synonym
- Netazol Synonym
- Okultin M Synonym
- 2M-4Ch Synonym
- Metaxon Synonym
- 2M2Kh Synonym
- Hormoneste Synonym
- Rhonox Synonym
- Mecaphar Synonym
- Agritox 50 Synonym
- Agritox Synonym
- NSC 2351 Synonym
- MCPA (acid) Synonym
- MCP (herbicide) Synonym
- CMPA Synonym
- MCPA (herbicide) Synonym
- Chipton Synonym
- SAN 75 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 200.62 g/mol | CAS Common Chemistry |
| 200.62099999999998 g/mol | RDKit | |
| 200.621 g/mol | RDKit | |
| 200.618 g/mol | chempirical lib | |
| Density | 1.56 g/cm³ | CAS Common Chemistry |
| 1.56 g/cm3 @ 25 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/MCPA | CAS Common Chemistry |
| Boiling Point | 286.74 °C | CAS Common Chemistry |
| Canonical SMILES | O=C(O)COC1=CC=C(Cl)C=C1C | CAS Common Chemistry |
| InChI | InChI=1S/C9H9ClO3/c1-6-4-7(10)2-3-8(6)13-5-9(11)12/h2-4H,5H2,1H3,(H,11,12) | CAS Common Chemistry |
| InChI Key | InChIKey=WHKUVVPPKQRRBV-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 118-119 °C | CAS Common Chemistry |
| Name | (4-Chloro-2-methylphenoxy)acetic acid | CAS Common Chemistry |
| Heavy Atom Count | 13 | 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 | 2.11182 | RDKit |
| 2.1118 | RDKit | |
| Molar Refractivity | 49.31980000000002 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.2222 | RDKit |
| 0.22 | chempirical lib | |
| Exact Mass | 200.024021828 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
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100
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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 = 200.62 g/mol; density = 1.560 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C9H9ClO3.
