Basic information
- CAS
88952-45-8- Standard SMILES
Cc1ccccc1C(=O)CC(=O)c1cc(Br)ccc1O- InChIKey
UKAQUYWBHGPNTF-UHFFFAOYSA-N- Molecular formula
- C16H13BrO3
- Average molar mass
- 333.18 g/mol
- Monoisotopic mass
- 332.00481
Names & identifiers
- Preferred name
- 1-(5-Bromo-2-hydroxyphenyl)-3-(2-methylphenyl)propane-1,3-dione
- IUPAC
- 1-(5-bromo-2-hydroxyphenyl)-3-(2-methylphenyl)propane-1,3-dione
Names & synonyms
88952-45-8DTXSID105260441-(5-Bromo-2-hydroxyphenyl)-3-(2-methylphenyl)propane-1,3-dione
Database identifiers
- CAS
88952-45-8- PubChem CID
- 13190843
- DTXSID
DTXSID10526044
Properties
Computed structural properties
- XLogP
- 4.4
- 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
- 369
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…