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Molecule
Ethene, 1-Chloro-1,2-Difluoro-
CAS: 359-04-6 · C2HClF2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 359-04-6
- Molecular Formula
- C2HClF2
- Molecular Mass
- 98.48 g/mol
Identifiers
CAS Registry Number
359-04-6
SMILES
FC=C(F)Cl
InChI Key
CJENPNUXCMYXPT-UHFFFAOYSA-N
InChI
InChI=1S/C2HClF2/c3-2(5)1-4/h1H
Names and Synonyms
- Ethene, 1-Chloro-1,2-Difluoro- Synonym
- Ethene, 1-chloro-1,2-difluoro- Synonym
- Ethylene, 1-chloro-1,2-difluoro- Synonym
- 1-Chloro-1,2-difluoroethylene Synonym
- HCFC 1122a Synonym
- F 1122a Synonym
- 1-Chloro-1,2-difluoroethene Synonym
- HCFO 1122a Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 98.48 g/mol | CAS Common Chemistry |
| 98.47900000000001 g/mol | RDKit | |
| 98.479 g/mol | RDKit | |
| 98.476 g/mol | chempirical lib | |
| Boiling Point | -15 °C | CAS Common Chemistry |
| Canonical SMILES | FC=C(F)Cl | CAS Common Chemistry |
| InChI | InChI=1S/C2HClF2/c3-2(5)1-4/h1H | CAS Common Chemistry |
| InChI Key | InChIKey=CJENPNUXCMYXPT-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Ethene, 1-chloro-1,2-difluoro- | 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 | 1.9631 | RDKit |
| 1.81 | chempirical lib | |
| Molar Refractivity | 16.152 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 97.973484152 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 = 98.48 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C2HClF2.
