Basic information
- CAS
88952-42-5- Standard SMILES
COc1ccccc1C(=O)CC(=O)c1cc(Br)ccc1O- InChIKey
KJGBUDOVRLASIV-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-(2-methoxyphenyl)propane-1,3-dione
- IUPAC
- 1-(5-bromo-2-hydroxyphenyl)-3-(2-methoxyphenyl)propane-1,3-dione
Names & synonyms
88952-42-51-(5-Bromo-2-hydroxyphenyl)-3-(2-methoxyphenyl)propane-1,3-dioneDTXSID90526042
Database identifiers
- CAS
88952-42-5- PubChem CID
- 13190841
- DTXSID
DTXSID90526042
Properties
Computed structural properties
- XLogP
- 4
- 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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