Basic information
- Standard SMILES
Cc1cc(Oc2ccc(C(F)(F)F)cn2)cc(B(O)O)c1- InChIKey
FPLQMUNMBDMEEG-UHFFFAOYSA-N- Molecular formula
- C13H11BF3NO3
- Average molar mass
- 297.04 g/mol
- Monoisotopic mass
- 297.0784079
Names & identifiers
- Preferred name
- 3-Methyl-5-(5-(trifluoromethyl)pyridin-2-yloxy)phenylboronic acid
- IUPAC
- [3-methyl-5-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]boronic acid
Names & synonyms
3-Methyl-5-(5-(trifluoromethyl)pyridin-2-yloxy)phenylboronic acidSCHEMBL1011722
Database identifiers
- PubChem CID
- 66876239
Properties
Computed structural properties
- Topological polar surface area
- 62.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 343
Related reactions
3 records
Compound notes
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