Basic information
- CAS
54410-95-6- Standard SMILES
ClC=CCOc1ccccc1- InChIKey
AYSHEHSQGMNMJY-UHFFFAOYSA-N- Molecular formula
- C9H9ClO
- Average molar mass
- 168.62 g/mol
- Monoisotopic mass
- 168.0341926
Names & identifiers
- Preferred name
- 3-Chloroprop-2-enoxybenzene
- IUPAC
- 3-chloroprop-2-enoxybenzene
- English name
- Benzene, [(3-chloro-2-propenyl)oxy]-
- Molecular formula
- C9H9ClO
- Molecular weight
- 168.62
Names & synonyms
54410-95-6Benzene, [(3-chloro-2-propenyl)oxy]-SCHEMBL920386SCHEMBL921929SCHEMBL11496934SCHEMBL27495269DTXSID20339182AKOS017265313[(3-CHLOROPROP-2-EN-1-YL)OXY]BENZENE[(3-Chloro-2-propenyl)oxy]benzeneBenzene, [(3-chloro-2-propen-1-yl)oxy]-
Database identifiers
- CAS
54410-95-6- PubChem CID
- 554226
- DTXSID
DTXSID20339182
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 117
Physicochemical properties
- Boiling point
- 116 · 116-117 °C(Press: 14 Torr)
- Density
- 1.142 g/cm3 · 1.142 g/cm3(Temp: 22 °C)
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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