Benzene, [(1E)-3,3-dichloro-1-propenyl]-
Basic information
- CAS
51157-80-3- Standard SMILES
ClC(Cl)C=Cc1ccccc1- InChIKey
PLNSKVFVQQBEMJ-UHFFFAOYSA-N- Molecular formula
- C9H8Cl2
- Average molar mass
- 187.06 g/mol
- Monoisotopic mass
- 186.0003056
Names & identifiers
- Preferred name
- Benzene, [(1E)-3,3-dichloro-1-propenyl]-
- IUPAC
- 3,3-dichloroprop-1-enylbenzene
- English name
- [(E)-3,3-Dichloro-1-propenyl]benzene
- Molecular formula
- C9H8Cl2
- Molecular weight
- 187.07
Names & synonyms
CinnamalchloridBenzene, [(1E)-3,3-dichloro-1-propenyl]-51157-80-3SCHEMBL148999DTXSID10341759(3,3-DICHLOROPROP-1-EN-1-YL)BENZENECinnamal chloride[(E)-3,3-Dichloro-1-propenyl]benzeneBenzene, [(1E)-3,3-dichloro-1-propen-1-yl]-
Database identifiers
- CAS
51157-80-3- PubChem CID
- 575540
- DTXSID
DTXSID10341759
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 124
Physicochemical properties
- Melting point
- 58 · 58-58.5 °C
- Boiling point
- 277.489 · 277.489±30.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.218 · 1.218±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
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Compound notes
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