(4'-Ethyl-3'-fluoro-[1,1'-biphenyl]-4-yl)boronic acid
Basic information
- CAS
120153-09-5- Standard SMILES
CCc1ccc(-c2ccc(B(O)O)cc2)cc1F- InChIKey
GDRWUWXCJJOEIW-UHFFFAOYSA-N- Molecular formula
- C14H14BFO2
- Average molar mass
- 244.07 g/mol
- Monoisotopic mass
- 244.107088
Names & identifiers
- Preferred name
- (4'-Ethyl-3'-fluoro-[1,1'-biphenyl]-4-yl)boronic acid
- IUPAC
- [4-(4-ethyl-3-fluorophenyl)phenyl]boronic acid
Names & synonyms
120153-09-5(4'-Ethyl-3'-fluoro-[1,1'-biphenyl]-4-yl)boronic acidDTXSID201203748(4'-Ethyl-3'-fluoro[1,1'-biphenyl]-4-yl)boronic acidBoronic acid, (4a(2)-ethyl-3a(2)-fluoro[1,1a(2)-biphenyl]-4-yl)-
Database identifiers
- CAS
120153-09-5- PubChem CID
- 85588461
- DTXSID
DTXSID201203748
Properties
Computed structural properties
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 254
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Compound notes
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