2,4,4,4-Tetrachlorobut-2-enal
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Basic information
- CAS
19429-51-7- Standard SMILES
O=CC(Cl)=CC(Cl)(Cl)Cl- InChIKey
SBJGGOPLEWSLBN-UHFFFAOYSA-N- Molecular formula
- C4H2Cl4O
- Average molar mass
- 207.9 g/mol
- Monoisotopic mass
- 205.885975
Names & identifiers
- Preferred name
- 2,4,4,4-Tetrachlorobut-2-enal
- IUPAC
- 2,4,4,4-tetrachlorobut-2-enal
- English name
- 2,4,4,4-tetrachloro-2-butenal
- Molecular formula
- C4H2Cl4O
- Molecular weight
- 207.87
Names & synonyms
2,4,4,4-tetrachlorobut-2-enal19429-51-7(E)-2,4,4,4-tetrachlorobut-2-enalEINECS 243-052-1SCHEMBL11680857DTXSID30941159NS000538272,4,4,4-tetrachloro-2-butenal2-Butenal, 2,4,4,4-tetrachloro-
Database identifiers
- CAS
19429-51-7- PubChem CID
- 86872
- DTXSID
DTXSID30941159- EC Number
- 243-052-1
Properties
Computed structural propertiesFilling in
- XLogP
- 2.6
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 134
Physicochemical properties
- Boiling point
- 273 · 273.0±40.0 °C(Predicted)
- Density
- 1.588 · 1.588±0.06 g/cm3(Predicted)
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Compound notes
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