(E)-3-(1,3-benzodioxol-5-yl)-1-(3-bromo-5-fluoro-2-hydroxyphenyl)-2-methylprop-2-en-1-one
Basic information
- CAS
7358-87-4- Standard SMILES
C/C(=C\c1ccc2c(c1)OCO2)C(=O)c1cc(F)cc(Br)c1O- InChIKey
PXFAIBJYOKBHLM-RUDMXATFSA-N- Molecular formula
- C17H12BrFO4
- Average molar mass
- 379.2 g/mol
- Monoisotopic mass
- 377.9903
Names & identifiers
- Preferred name
- (E)-3-(1,3-benzodioxol-5-yl)-1-(3-bromo-5-fluoro-2-hydroxyphenyl)-2-methylprop-2-en-1-one
- IUPAC
- (E)-3-(1,3-benzodioxol-5-yl)-1-(3-bromo-5-fluoro-2-hydroxyphenyl)-2-methylprop-2-en-1-one
Names & synonyms
NSC88512NSC-885127358-87-4
Database identifiers
- CAS
7358-87-4- PubChem CID
- 5883733
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 483
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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