2-(1-Chloro-4-phenylbutylidene)cyclopentan-1-one
Basic information
- CAS
868701-01-3- Standard SMILES
O=C1CCCC1=C(Cl)CCCc1ccccc1- InChIKey
CORZNXUMLZNDDH-UHFFFAOYSA-N- Molecular formula
- C15H17ClO
- Average molar mass
- 248.75 g/mol
- Monoisotopic mass
- 248.0967929
Names & identifiers
- Preferred name
- 2-(1-Chloro-4-phenylbutylidene)cyclopentan-1-one
- IUPAC
- 2-(1-chloro-4-phenylbutylidene)cyclopentan-1-one
Names & synonyms
2-(1-Chloro-4-phenylbutylidene)cyclopentan-1-one868701-01-3DTXSID80833191
Database identifiers
- CAS
868701-01-3- PubChem CID
- 71413680
- DTXSID
DTXSID80833191
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 300
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…