Basic information
- CAS
15725-15-2- Standard SMILES
CC(=O)C(=Cc1cccc(Cl)c1)C(C)=O- InChIKey
MXUHWQIVJPLIGF-UHFFFAOYSA-N- Molecular formula
- C12H11ClO2
- Average molar mass
- 222.67 g/mol
- Monoisotopic mass
- 222.0447573
Names & identifiers
- Preferred name
- 3-[(3-Chlorophenyl)methylidene]pentane-2,4-dione
- IUPAC
- 3-[(3-chlorophenyl)methylidene]pentane-2,4-dione
Names & synonyms
NSC63717615725-15-23-[(3-chlorophenyl)methylidene]pentane-2,4-dione3-(3-Chlorobenzylidene)-2,4-pentanedioneSCHEMBL11547520DTXSID70327211NSC-6371763-[(3-chlorophenyl)methylene]pentane-2,4-dione
Database identifiers
- CAS
15725-15-2- PubChem CID
- 367451
- DTXSID
DTXSID70327211- Nikkaji
- J1.606.680J
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 278
Experimental & physicochemical properties
LogP2.26
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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