1-(4-Chlorophenyl)pent-1-en-3-one
Basic information
- CAS
36383-96-7- Standard SMILES
CCC(=O)C=Cc1ccc(Cl)cc1- InChIKey
UJJNGTBRZSXFRI-UHFFFAOYSA-N- Molecular formula
- C11H11ClO
- Average molar mass
- 194.66 g/mol
- Monoisotopic mass
- 194.0498427
Names & identifiers
- Preferred name
- 1-(4-Chlorophenyl)pent-1-en-3-one
- IUPAC
- 1-(4-chlorophenyl)pent-1-en-3-one
- English name
- 1-(4-Chlorophenyl)-1-penten-3-one
- Molecular formula
- C11H11ClO
- Molecular weight
- 194.66
Names & synonyms
1-(4-chlorophenyl)pent-1-en-3-oneSCHEMBL27699740DTXSID5030270336383-96-71-(4-Chlorophenyl)-1-penten-3-one
Database identifiers
- CAS
36383-96-7- PubChem CID
- 290134
- DTXSID
DTXSID50302703
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 190
Physicochemical properties
- Boiling point
- 316.01 · 316.010±17.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.128 · 1.128±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- Comptox DTXSID
- 50302703 · DTXSID50302703
- HS Code
- 2914790090 · 2914790090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2914790090
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…