Basic information
- CAS
82129-59-7- Standard SMILES
CC(=O)CC(=O)Cc1cccc(Cl)c1- InChIKey
NNPRXERKWQIVEG-UHFFFAOYSA-N- Molecular formula
- C11H11ClO2
- Average molar mass
- 210.65 g/mol
- Monoisotopic mass
- 210.0447573
Names & identifiers
- Preferred name
- 1-(3-Chlorophenyl)pentane-2,4-dione
- IUPAC
- 1-(3-chlorophenyl)pentane-2,4-dione
Names & synonyms
1-(3-Chlorophenyl)pentane-2,4-dione82129-59-7SCHEMBL11271623DTXSID70527037MFCD16308029SY452897
Database identifiers
- CAS
82129-59-7- PubChem CID
- 13201809
- DTXSID
DTXSID70527037
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 225
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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