2-(Acetyloxy)-1,2-dichloroethyl acetate
Basic information
- CAS
59602-17-4- Standard SMILES
CC(=O)OC(Cl)C(Cl)OC(C)=O- InChIKey
IKRUPSGLJUNOCS-UHFFFAOYSA-N- Molecular formula
- C6H8Cl2O4
- Average molar mass
- 215.03 g/mol
- Monoisotopic mass
- 213.9799641
Names & identifiers
- Preferred name
- 2-(Acetyloxy)-1,2-dichloroethyl acetate
- IUPAC
- (2-acetyloxy-1,2-dichloroethyl) acetate
- English name
- 2-(Acetyloxy)-1,2-dichloroethyl acetate
- Molecular formula
- C6H8Cl2O4
- Molecular weight
- 215.03
Names & synonyms
2-(Acetyloxy)-1,2-dichloroethyl acetate59602-17-4DTXSID90336769RefChem:253072DTXCID802878571,2-Ethanediol, 1,2-dichloro-, diacetateIKRUPSGLJUNOCS-UHFFFAOYSA-N1,2-Dichloroethane-1,2-diyl diacetateDB-3127512-(Acetyloxy)-1,2-dichloroethyl acetate #1,2-Dichloro-1,2-ethanediol diacetate1,2-Ethanediol, 1,2-dichloro-, 1,2-diacetate
Database identifiers
- CAS
59602-17-4- PubChem CID
- 536148
- DTXSID
DTXSID90336769- Nikkaji
- J131.536F
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 162
Physicochemical properties
- Boiling point
- 77 · 77-79 °C(Press: 10 Torr)
- Density
- 1.36 · 1.360±0.06 g/cm3(Predicted)
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Compound notes
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