4-(p-n-Octyloxyphenyl)-2,3-difluorobenzene boronic acid

HCID 17820451

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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

Related reactions

2 records

Compound notes

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CAS 154024-87-0 4-(p-n-Octyloxyphenyl)-2,3-difluorobenzene boronic acid (HCID 17820451)|Huagongshe