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Attain A
CAS: 81406-37-3 | C15H21Cl2FN2O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
81406-37-3
Molecular Formula:
C15H21Cl2FN2O3
Molecular Mass:
367.25 g/mol
Names and Synonyms:
Attain A
Acetic acid, 2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]-, 1-methylheptyl ester
Acetic acid, [(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]-, 1-methylheptyl ester
Dowco 433
Starane 250
Starane
Starane 2
Fluroxypyr 1-methylheptyl ester
XRM 5084
Fluroxypyr meptyl
Tomahawk
Spotlight
Spotlight (pyridinoxyacetate herbicide)
Fluroxypyr meptyl ester
Attain A
Starane 250EC
Trophy A
Starane Ultra
Identifiers:
SMILES:
CCCCCCC(C)OC(=O)COc1nc(F)c(Cl)c(N)c1Cl
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)
Key Properties
Melting Point
59 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 367.25 g/mol | CAS Common Chemistry |
| 367.24800000000005 g/mol | RDKit | |
| 366.09132611200005 g/mol | RDKit | |
| 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 |
| LogP | 4.390600000000003 | RDKit |
| Molar Refractivity | 88.43540000000003 | RDKit |
