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Molecule
Fenoprop
CAS: 93-72-1 · C9H7Cl3O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 93-72-1
- Molecular Formula
- C9H7Cl3O3
- Molecular Mass
- 269.51 g/mol
Identifiers
CAS Registry Number
93-72-1
SMILES
CC(Oc1cc(Cl)c(Cl)cc1Cl)C(=O)O
InChI Key
ZLSWBLPERHFHIS-UHFFFAOYSA-N
InChI
InChI=1S/C9H7Cl3O3/c1-4(9(13)14)15-8-3-6(11)5(10)2-7(8)12/h2-4H,1H3,(H,13,14)
Names and Synonyms
- Fenoprop Synonym
- Propanoic acid, 2-(2,4,5-trichlorophenoxy)- Synonym
- Propionic acid, 2-(2,4,5-trichlorophenoxy)- Synonym
- 2-(2,4,5-Trichlorophenoxy)propanoic acid Synonym
- Color-Set Synonym
- Fenoprop Synonym
- Fruitone T Synonym
- Kurosal G Synonym
- Silvex Synonym
- Silvi-Rhap Synonym
- Sta-fast Synonym
- 2-(2,4,5-Trichlorophenoxy)propionic acid Synonym
- 2,4,5-TP Synonym
- 2,4,5-Trichlorophenoxypropionic acid Synonym
- α-(2,4,5-Trichlorophenoxy)propionic acid Synonym
- Fenormone Synonym
- 2,4,5-TCPP Synonym
- (±)-2-(2,4,5-Trichlorophenoxy)propionic acid Synonym
- (±)-Fenoprop Synonym
- (±)-Silvex Synonym
- 2,4,5-Trichlorophenoxypropanoic acid Synonym
- 2,4,5-TCPPA Synonym
- Phenoprop Synonym
- 2-(2′,4′,5′-Trichloro-phenoxy)-propionic acid Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 269.51 g/mol | CAS Common Chemistry |
| 269.51099999999997 g/mol | RDKit | |
| 269.511 g/mol | RDKit | |
| 269.502 g/mol | chempirical lib | |
| Density | 1.21 g/cm³ | CAS Common Chemistry |
| 1.2085 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Fenoprop | CAS Common Chemistry |
| Canonical SMILES | O=C(O)C(OC1=CC(Cl)=C(Cl)C=C1Cl)C | CAS Common Chemistry |
| InChI | InChI=1S/C9H7Cl3O3/c1-4(9(13)14)15-8-3-6(11)5(10)2-7(8)12/h2-4H,1H3,(H,13,14) | CAS Common Chemistry |
| InChI Key | InChIKey=ZLSWBLPERHFHIS-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 181.6 °C | CAS Common Chemistry |
| Name | Fenoprop | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 46.53 Ų | RDKit |
| LogP | 3.4987000000000013 | RDKit |
| 3.4987 | RDKit | |
| Molar Refractivity | 59.197800000000015 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.2222 | RDKit |
| 0.22 | chempirical lib | |
| Exact Mass | 267.946077124 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
7
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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 = 269.51 g/mol; density = 1.210 g/mL. Edit any field — others recompute live.
