Basic information
- CAS
872495-70-0- Standard SMILES
N#Cc1cccc(B(O)c2cc(F)ccc2F)c1- InChIKey
ITNFYFISNFGZDS-UHFFFAOYSA-N- Molecular formula
- C13H8BF2NO
- Average molar mass
- 243.02 g/mol
- Monoisotopic mass
- 243.0667004
Names & identifiers
- Preferred name
- (3-Cyanophenyl)(2,5-difluorophenyl)borinic acid
- IUPAC
- (3-cyanophenyl)-(2,5-difluorophenyl)borinic acid
Names & synonyms
872495-70-0(3-cyanophenyl)(2,5-difluorophenyl)borinic acid3-((2,5-difluorophenyl)(hydroxy)boryl)benzonitrileDTXSID20740279
Database identifiers
- CAS
872495-70-0- PubChem CID
- 69338192
- DTXSID
DTXSID20740279
Properties
Computed structural properties
- Topological polar surface area
- 44 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 332
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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