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Molecule
Clopyralid
CAS: 1702-17-6 · C6H3Cl2NO2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 1702-17-6
- Molecular Formula
- C6H3Cl2NO2
- Molecular Mass
- 192.00 g/mol
Identifiers
CAS Registry Number
1702-17-6
SMILES
O=C(O)c1nc(Cl)ccc1Cl
InChI Key
HUBANNPOLNYSAD-UHFFFAOYSA-N
InChI
InChI=1S/C6H3Cl2NO2/c7-3-1-2-4(8)9-5(3)6(10)11/h1-2H,(H,10,11)
Names and Synonyms
- Clopyralid Common Name
- 2-Pyridinecarboxylic acid, 3,6-dichloro- Synonym
- Picolinic acid, 3,6-dichloro- Synonym
- 3,6-Dichloro-2-pyridinecarboxylic acid Synonym
- 3,6-Dichloropicolinic acid Synonym
- Dowco 290 Synonym
- Matrigon Synonym
- Lontrel Synonym
- 3,6-Dichloro-2-picolinic acid Synonym
- XRM 3972 Synonym
- Lontrel 3 Synonym
- Clopyralid Synonym
- IWD 3523 Synonym
- Lontrel 300 Synonym
- Versatill Synonym
- Stinger Synonym
- Cirtoxin Synonym
- Lontrel L Synonym
- Lontrel 100 Synonym
- Transline Synonym
- Dichloro pyridine acid Synonym
- Diclopyr Synonym
- Faworyt Synonym
- Faworyt 300SL Synonym
- Lornet Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 192.00 g/mol | CAS Common Chemistry |
| 192.00100000000003 g/mol | RDKit | |
| 192.001 g/mol | RDKit | |
| 191.995 g/mol | chempirical lib | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Clopyralid | CAS Common Chemistry |
| Canonical SMILES | O=C(O)C1=NC(Cl)=CC=C1Cl | CAS Common Chemistry |
| InChI | InChI=1S/C6H3Cl2NO2/c7-3-1-2-4(8)9-5(3)6(10)11/h1-2H,(H,10,11) | CAS Common Chemistry |
| InChI Key | InChIKey=HUBANNPOLNYSAD-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 151-152 °C | CAS Common Chemistry |
| Name | Clopyralid | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 50.19 Ų | RDKit |
| 49.66 Ų | chempirical lib | |
| LogP | 2.0866 | RDKit |
| Molar Refractivity | 41.216300000000004 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 190.954083696 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 |
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200 ppm
180
160
140
120
100
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40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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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 = 192.00 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C6H3Cl2NO2.
