Basic information
- CAS
15795-19-4- Standard SMILES
CC(=O)C(=Cc1ccc(Br)cc1)C(C)=O- InChIKey
QITTYBACPUVFRT-UHFFFAOYSA-N- Molecular formula
- C12H11BrO2
- Average molar mass
- 267.12 g/mol
- Monoisotopic mass
- 265.99424
Names & identifiers
- Preferred name
- 3-(4-Bromobenzylidene)-2,4-pentanedione
- IUPAC
- 3-[(4-bromophenyl)methylidene]pentane-2,4-dione
Names & synonyms
NSC6371743-(4-Bromobenzylidene)-2,4-pentanedione3-[(4-bromophenyl)methylidene]pentane-2,4-dione15795-19-43-(4-bromobenzylidene)pentane-2,4-dioneSCHEMBL12630700DTXSID60876708ACETYLACETONE,4-BROMOBENZALSTL025733AKOS005641727NSC-6371743-[(4-bromophenyl)methylene]pentane-2,4-dione
Show more names
Z227968430
Database identifiers
- CAS
15795-19-4- PubChem CID
- 367449
- DTXSID
DTXSID60876708- Nikkaji
- J1.606.720B
Properties
Computed structural properties
- XLogP
- 2.4
- 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
- 270
Experimental & physicochemical properties
LogP2.75
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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