3,6-Dichloro-2-methoxybenzoic acid
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CAS Number 1918-00-9
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Catalog Number io-2164
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Classification Acids
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Molecular Weight 221.0300
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SMILES COC1=C(C=CC(=C1C(=O)O)Cl)Cl
| Size | QTY | Notes | |
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Dicamba is a methoxybenzoic acid that is O-methylsalicylic acid substituted by chloro groups at positions 3 and 6. It has a role as a xenobiotic, an environmental contaminant, a herbicide, a synthetic auxin and an agrochemical. It is a methoxybenzoic acid and a dichlorobenzene. It is a conjugate acid of a 3,6-dichloro-2-methoxybenzoate.
| 1 | dicamba |
| 2 | 3,6-Dichloro-2-methoxybenzoic acid |
| 3 | Benzoic acid, 3,6-dichloro-2-methoxy- |
| 4 | Banvel |
| 5 | Mdba |
| Molecular Formula | C8H6Cl2O3 |
|---|---|
| Canonical SMILES | COC1=C(C=CC(=C1C(=O)O)Cl)Cl |
| Isomeric SMILES | COC1=C(C=CC(=C1C(=O)O)Cl)Cl |
| Molecular Weight | 221.0300 |
| InChIKey | IWEDIXLBFLAXBO-UHFFFAOYSA-N |
| InChI | InChI=1S/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12) |
| XLogP | 2.2000 |
| ExactMass | 219.9694 |
| MonoisotopicMass | 219.9694 |
| TPSA | 46.5000 |
| Complexity | 198.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 1 |
| HBondAcceptorCount | 3 |
| RotatableBondCount | 2 |
| HeavyAtomCount | 13 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 0 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 0 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 1 |
| PatentCount | 59456 |
| PatentFamilyCount | 18048 |
| LiteratureCount | 2013 |
