Basic information
- Standard SMILES
O=C(CBr)C1=NOC(c2c(F)cccc2F)C1- InChIKey
PGONUFQCBRMACB-UHFFFAOYSA-N- Molecular formula
- C11H8BrF2NO2
- Average molar mass
- 304.09 g/mol
Names & identifiers
- Preferred name
- 2-Bromo-1-(4,5-dihydro-5-(2,6-difluorophenyl)-3-isoxazolyl)ethanone
- IUPAC
- 2-bromo-1-[5-(2,6-difluorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]ethanone
Names & synonyms
SCHEMBL192955PGONUFQCBRMACB-UHFFFAOYSA-N2-bromo-1-(4,5-dihydro-5-(2,6-difluorophenyl)-3-isoxazolyl)ethanone
Database identifiers
- PubChem CID
- 86657563
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 38.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 327
Related reactions
6 records
Compound notes
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