Basic information
- CAS
88952-43-6- Standard SMILES
COc1cccc(C(=O)CC(=O)c2cc(Br)ccc2O)c1- InChIKey
FNOHTNTVMPWAPB-UHFFFAOYSA-N- Molecular formula
- C16H13BrO4
- Average molar mass
- 349.17 g/mol
- Monoisotopic mass
- 347.99972
Names & identifiers
- Preferred name
- 1-(5-Bromo-2-hydroxyphenyl)-3-(3-methoxyphenyl)propane-1,3-dione
- IUPAC
- 1-(5-bromo-2-hydroxyphenyl)-3-(3-methoxyphenyl)propane-1,3-dione
Names & synonyms
88952-43-6DTXSID505260431-(5-Bromo-2-hydroxyphenyl)-3-(3-methoxyphenyl)propane-1,3-dione
Database identifiers
- CAS
88952-43-6- PubChem CID
- 13190842
- DTXSID
DTXSID50526043
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 384
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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