Basic information
- CAS
328925-64-0- Standard SMILES
O=C(CC(=O)c1cc(Br)ccc1O)c1ccc(Cl)cc1- InChIKey
ZENXQGWUPXALNC-UHFFFAOYSA-N- Molecular formula
- C15H10BrClO3
- Average molar mass
- 353.59 g/mol
- Monoisotopic mass
- 351.95018
Names & identifiers
- Preferred name
- 1-(5-Bromo-2-hydroxyphenyl)-3-(4-chlorophenyl)propane-1,3-dione
- IUPAC
- 1-(5-bromo-2-hydroxyphenyl)-3-(4-chlorophenyl)propane-1,3-dione
- English name
- 1-(5-Bromo-2-hydroxyphenyl)-3-(4-chlorophenyl)-1,3-propanedione
- Molecular formula
- C15H10BrClO3
- Molecular weight
- 353.6
Names & synonyms
328925-64-0DTXSID305260461-(5-bromo-2-hydroxyphenyl)-3-(4-chlorophenyl)propane-1,3-dione1-(5-Bromo-2-hydroxyphenyl)-3-(4-chlorophenyl)-1,3-propanedione1-(2'-hydroxy-5'-bromophenyl)-3-(4'-chlorophenyl)-1,3-propandione
Database identifiers
- CAS
328925-64-0- PubChem CID
- 13190871
- DTXSID
DTXSID30526046
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 366
Chemistry & industry
Suppliers3 total
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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