Methoxone
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CAS Number 94-74-6
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Catalog Number io-2638
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Classification Acids
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Molecular Weight 200.6200
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SMILES CC1=C(C=CC(=C1)Cl)OCC(=O)O
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(4-chloro-2-methylphenoxy)acetic acid is a chlorophenoxyacetic acid that is (4-chlorophenoxy)acetic acid substituted by a methyl group at position 2. It has a role as a synthetic auxin, an environmental contaminant and a phenoxy herbicide. It is a chlorophenoxyacetic acid and a member of monochlorobenzenes.
| 1 | MCPA |
| 2 | (4-Chloro-2-methylphenoxy)acetic acid |
| 3 | 2-METHYL-4-CHLOROPHENOXYACETIC ACID |
| 4 | Agroxone |
| 5 | 2-(4-Chloro-2-methylphenoxy)acetic acid |
| Molecular Formula | C9H9ClO3 |
|---|---|
| Canonical SMILES | CC1=C(C=CC(=C1)Cl)OCC(=O)O |
| Isomeric SMILES | CC1=C(C=CC(=C1)Cl)OCC(=O)O |
| Molecular Weight | 200.6200 |
| InChIKey | 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) |
| XLogP | 2.6000 |
| ExactMass | 200.0240 |
| MonoisotopicMass | 200.0240 |
| TPSA | 46.5000 |
| Complexity | 184.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 1 |
| HBondAcceptorCount | 3 |
| RotatableBondCount | 3 |
| HeavyAtomCount | 13 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 0 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 0 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 1 |
| PatentCount | 34499 |
| PatentFamilyCount | 9701 |
| LiteratureCount | 2277 |
