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Molecule
(1Z)-1-Bromo-2-Ethoxyethene
CAS: 23521-49-5 · C4H7BrO
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 23521-49-5
- Molecular Formula
- C4H7BrO
- Molecular Mass
- 151.00 g/mol
Identifiers
CAS Registry Number
23521-49-5
SMILES
CCO/C=CBr
InChI Key
BCFCTTHZFYZOHT-ARJAWSKDSA-N
InChI
InChI=1S/C4H7BrO/c1-2-6-4-3-5/h3-4H,2H2,1H3/b4-3-
Names and Synonyms
- (1Z)-1-Bromo-2-Ethoxyethene Common Name
- Ethene, 1-bromo-2-ethoxy-, (1Z)- Synonym
- Ether, 2-bromovinyl ethyl, (Z)- Synonym
- Ethene, 1-bromo-2-ethoxy-, (Z)- Synonym
- (1Z)-1-Bromo-2-ethoxyethene Synonym
- (Z)-1-Bromo-2-ethoxyethylene Synonym
- cis-1-Bromo-2-ethoxyethylene Synonym
- cis-1-Bromo-2-ethoxyethene Synonym
- (Z)-1-Bromo-2-ethoxyethene Synonym
- (Z)-2-Ethoxy-1-bromoethene Synonym
- (Z)-1-Bromo-2-ethoxyethene Synonym
- (Z)-2-Bromo-1-ethoxyethene Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 151.00 g/mol | CAS Common Chemistry |
| 151.003 g/mol | RDKit | |
| Density | 1.43 g/cm³ | CAS Common Chemistry |
| 1.4302 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Boiling Point | 134-137 °C | CAS Common Chemistry |
| Canonical SMILES | BrC=COCC | CAS Common Chemistry |
| InChI | InChI=1S/C4H7BrO/c1-2-6-4-3-5/h3-4H,2H2,1H3/b4-3- | CAS Common Chemistry |
| InChI Key | InChIKey=BCFCTTHZFYZOHT-ARJAWSKDSA-N | CAS Common Chemistry |
| Name | (1Z)-1-Bromo-2-ethoxyethene | CAS Common Chemistry |
| Heavy Atom Count | 6 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 9.23 Ų | RDKit |
| LogP | 1.889 | RDKit |
| 1.92 | chempirical lib | |
| Molar Refractivity | 29.692999999999987 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5 | RDKit |
| Exact Mass | 149.968026944 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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200 ppm
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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.
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MW = 151.00 g/mol; density = 1.430 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C4H7BrO.
