Difluoro(3-oxo-N-phenylbutyramidato-O,O')boron
Basic information
- CAS
15387-98-1- Standard SMILES
CC(=CC(=O)Nc1ccccc1)OB(F)F- InChIKey
JRASYOPKEUTBOX-UHFFFAOYSA-N- Molecular formula
- C10H10BF2NO2
- Average molar mass
- 225 g/mol
- Monoisotopic mass
- 225.0772651
Names & identifiers
- Preferred name
- Difluoro(3-oxo-N-phenylbutyramidato-O,O')boron
- IUPAC
- 3-difluoroboranyloxy-N-phenylbut-2-enamide
Names & synonyms
15387-98-1Difluoro(3-oxo-N-phenylbutyramidato-O,O')boronEINECS 239-411-7DTXSID50934866JRASYOPKEUTBOX-UHFFFAOYSA-NNS000852863-[(Difluoroboranyl)oxy]-N-phenylbut-2-enimidic acid
Database identifiers
- CAS
15387-98-1- PubChem CID
- 85835
- DTXSID
DTXSID50934866- EC Number
- 239-411-7
Properties
Computed structural properties
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 266
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Compound notes
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