Completing data — usually done within a minute
Basic information
- CAS
154024-87-0- Standard SMILES
CCCCCCCCOc1ccc(-c2ccc(B(O)O)c(F)c2F)cc1- InChIKey
IDQMKFKTGYPMOS-UHFFFAOYSA-N- Molecular formula
- C20H25BF2O3
- Average molar mass
- 362.2 g/mol
- Monoisotopic mass
- 362.1864815
Names & identifiers
- Preferred name
- 4-(p-n-Octyloxyphenyl)-2,3-difluorobenzene boronic acid
- IUPAC
- [2,3-difluoro-4-(4-octoxyphenyl)phenyl]boronic acid
Names & synonyms
154024-87-0SCHEMBL48678194-(p-n-octyloxyphenyl)-2,3-difluorobenzene boronic acidIDQMKFKTGYPMOS-UHFFFAOYSA-NDTXSID601177769[2,3-Difluoro-4'-(octyloxy)[1,1'-biphenyl]-4-yl]boronic acidB-[2,3-Difluoro-4a(2)-(octyloxy)[1,1a(2)-biphenyl]-4-yl]boronic acid
Database identifiers
- CAS
154024-87-0- PubChem CID
- 17820451
- DTXSID
DTXSID601177769
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 49.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 10
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 378
Related reactions
2 records
Compound notes
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