(2-(2,4-Difluorophenoxy)-5-(trifluoromethyl)phenyl)boronic acid

HCID 89656359
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Basic information

Standard SMILES
OB(O)c1cc(C(F)(F)F)ccc1Oc1ccc(F)cc1F
InChIKey
FCFYUVONIQYEQM-UHFFFAOYSA-N
Molecular formula
C13H8BF5O3
Average molar mass
318.01 g/mol
Monoisotopic mass
318.0486651

Names & identifiers

Preferred name
(2-(2,4-Difluorophenoxy)-5-(trifluoromethyl)phenyl)boronic acid
IUPAC
[2-(2,4-difluorophenoxy)-5-(trifluoromethyl)phenyl]boronic acid

Names & synonyms

(2-(2,4-difluorophenoxy)-5-(trifluoromethyl)phenyl)boronic acidSCHEMBL15068027

Database identifiers

PubChem CID
89656359

Properties

Computed structural properties

Topological polar surface area
49.7 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
8
Rotatable bonds
3
Heavy atoms
22

Related reactions

2 records
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Compound notes

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