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Molecule
Ethene, 1,2-Dichloro-1-Fluoro-
CAS: 430-58-0 · C2HCl2F
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 430-58-0
- Molecular Formula
- C2HCl2F
- Molecular Mass
- 114.93 g/mol
Identifiers
CAS Registry Number
430-58-0
SMILES
FC(Cl)=CCl
InChI Key
LWDGFGTYBDRKHU-UHFFFAOYSA-N
InChI
InChI=1S/C2HCl2F/c3-1-2(4)5/h1H
Names and Synonyms
- Ethene, 1,2-Dichloro-1-Fluoro- Synonym
- Ethene, 1,2-dichloro-1-fluoro- Synonym
- Ethylene, 1,2-dichloro-1-fluoro- Synonym
- 1-Fluoro-1,2-dichloroethylene Synonym
- 1,2-Dichloro-1-fluoroethylene Synonym
- 1,2-Dichlorofluoroethylene Synonym
- 1,2-Dichlorofluoroethene Synonym
- HCFC 1121 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 114.93 g/mol | CAS Common Chemistry |
| 114.934 g/mol | RDKit | |
| 114.928 g/mol | chempirical lib | |
| Boiling Point | 35 °C | CAS Common Chemistry |
| Canonical SMILES | FC(Cl)=CCl | CAS Common Chemistry |
| InChI | InChI=1S/C2HCl2F/c3-1-2(4)5/h1H | CAS Common Chemistry |
| InChI Key | InChIKey=LWDGFGTYBDRKHU-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Ethene, 1,2-dichloro-1-fluoro- | CAS Common Chemistry |
| Heavy Atom Count | 5 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 2.2324 | RDKit |
| 2.09 | chempirical lib | |
| Molar Refractivity | 20.897 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 113.943933612 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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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.
External Resources
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MW = 114.93 g/mol. Edit any field — others recompute live.
