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Molecule
Fluroxypyr
CAS: 69377-81-7 · C7H5Cl2FN2O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 69377-81-7
- Molecular Formula
- C7H5Cl2FN2O3
- Molecular Mass
- 255.03 g/mol
Identifiers
CAS Registry Number
69377-81-7
SMILES
Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl
InChI Key
MEFQWPUMEMWTJP-UHFFFAOYSA-N
InChI
InChI=1S/C7H5Cl2FN2O3/c8-3-5(11)4(9)7(12-6(3)10)15-1-2(13)14/h1H2,(H2,11,12)(H,13,14)
Names and Synonyms
- Fluroxypyr Common Name
- Acetic acid, 2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]- Synonym
- Acetic acid, [(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]- Synonym
- 2-[(4-Amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]acetic acid Synonym
- [(4-Amino-3,5-dichloro-6-fluoro-2-pyridyl)oxy]acetic acid Synonym
- Fluroxypyr Synonym
- EF 689 Synonym
- Shuangzhiling Synonym
- Starane Advanced Synonym
- StareDown Synonym
- Vista XRT Synonym
- Vista Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 255.03 g/mol | CAS Common Chemistry |
| 255.03199999999998 g/mol | RDKit | |
| 255.032 g/mol | RDKit | |
| 255.026 g/mol | chempirical lib | |
| Density | 1.09 g/cm³ | CAS Common Chemistry |
| 1.09 g/cm3 @ 24 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Fluroxypyr | CAS Common Chemistry |
| Canonical SMILES | O=C(O)COC1=NC(F)=C(Cl)C(N)=C1Cl | CAS Common Chemistry |
| InChI | InChI=1S/C7H5Cl2FN2O3/c8-3-5(11)4(9)7(12-6(3)10)15-1-2(13)14/h1H2,(H2,11,12)(H,13,14) | CAS Common Chemistry |
| InChI Key | InChIKey=MEFQWPUMEMWTJP-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 232 °C | CAS Common Chemistry |
| Name | Fluroxypyr | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 85.44000000000001 Ų | RDKit |
| 85.44 Ų | RDKit | |
| 84.91 Ų | chempirical lib | |
| LogP | 1.5731 | RDKit |
| Molar Refractivity | 51.7582 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.1429 | RDKit |
| 0.14 | chempirical lib | |
| Exact Mass | 253.9661256 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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140
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100
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40
20
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| 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 = 255.03 g/mol; density = 1.090 g/mL. Edit any field — others recompute live.
