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Molecule
Attain A
CAS: 81406-37-3 · C15H21Cl2FN2O3
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 81406-37-3
- Molecular Formula
- C15H21Cl2FN2O3
- Molecular Mass
- 367.25 g/mol
Identifiers
CAS Registry Number
81406-37-3
SMILES
CCCCCCC(C)OC(=O)COc1nc(F)c(Cl)c(N)c1Cl
InChI Key
OLZQTUCTGLHFTQ-UHFFFAOYSA-N
InChI
InChI=1S/C15H21Cl2FN2O3/c1-3-4-5-6-7-9(2)23-10(21)8-22-15-12(17)13(19)11(16)14(18)20-15/h9H,3-8H2,1-2H3,(H2,19,20)
Names and Synonyms
- Attain A Synonym
- Acetic acid, 2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]-, 1-methylheptyl ester Synonym
- Acetic acid, [(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]-, 1-methylheptyl ester Synonym
- Dowco 433 Synonym
- Starane 250 Synonym
- Starane Synonym
- Starane 2 Synonym
- Fluroxypyr 1-methylheptyl ester Synonym
- XRM 5084 Synonym
- Fluroxypyr meptyl Synonym
- Tomahawk Synonym
- Spotlight Synonym
- Spotlight (pyridinoxyacetate herbicide) Synonym
- Fluroxypyr meptyl ester Synonym
- Attain A Synonym
- Starane 250EC Synonym
- Trophy A Synonym
- Starane Ultra Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 367.25 g/mol | CAS Common Chemistry |
| 367.24800000000005 g/mol | RDKit | |
| 367.248 g/mol | RDKit | |
| 367.242 g/mol | chempirical lib | |
| Canonical SMILES | O=C(OC(C)CCCCCC)COC1=NC(F)=C(Cl)C(N)=C1Cl | CAS Common Chemistry |
| InChI | InChI=1S/C15H21Cl2FN2O3/c1-3-4-5-6-7-9(2)23-10(21)8-22-15-12(17)13(19)11(16)14(18)20-15/h9H,3-8H2,1-2H3,(H2,19,20) | CAS Common Chemistry |
| InChI Key | InChIKey=OLZQTUCTGLHFTQ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 59 °C | CAS Common Chemistry |
| Name | Attain A | CAS Common Chemistry |
| Heavy Atom Count | 23 | RDKit |
| Hydrogen Bond Acceptors | 5 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 9 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 74.44 Ų | RDKit |
| 73.91 Ų | chempirical lib | |
| LogP | 4.390600000000003 | RDKit |
| 4.3906 | RDKit | |
| 4.37 | chempirical lib | |
| Molar Refractivity | 88.43540000000003 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.6 | RDKit |
| Exact Mass | 366.09132611200005 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
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MW = 367.25 g/mol. Edit any field — others recompute live.
