Basic information
- CAS
57982-85-1- Standard SMILES
CC(=O)C(=Cc1ccc(Cl)c(Cl)c1)C(C)=O- InChIKey
JUAFEEYZHUVDBA-UHFFFAOYSA-N- Molecular formula
- C12H10Cl2O2
- Average molar mass
- 257.11 g/mol
- Monoisotopic mass
- 256.0057849
Names & identifiers
- Preferred name
- 2,4-Pentanedione, 3-(3,4-dichlorobenzylidene)-
- IUPAC
- 3-[(3,4-dichlorophenyl)methylidene]pentane-2,4-dione
Names & synonyms
2,4-Pentanedione, 3-(3,4-dichlorobenzylidene)-57982-85-13-(3,4-Dichlorobenzylidene)-2,4-pentanedioneBRN 5006642DTXSID30206710NSC 162169RefChem:246885DTXCID601292013-[(3,4-dichlorophenyl)methylidene]pentane-2,4-dioneNSC1621693-[(3,4-Dichlorophenyl)methylene]-2,4-pentanedioneSCHEMBL7756019
Show more names
JUAFEEYZHUVDBA-UHFFFAOYSA-NNSC-1621692, 3-[(3,4-dichlorophenyl)methylene]-
Database identifiers
- CAS
57982-85-1- PubChem CID
- 98720
- DTXSID
DTXSID30206710- Nikkaji
- J65.577E
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 307
Related reactions
3 records
Compound notes
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