(3-Cyano-4-fluorophenyl)(ethenyl)borinic acid
Basic information
- CAS
872495-63-1- Standard SMILES
C=CB(O)c1ccc(F)c(C#N)c1- InChIKey
JQHVPWWDXVASAG-UHFFFAOYSA-N- Molecular formula
- C9H7BFNO
- Average molar mass
- 174.97 g/mol
- Monoisotopic mass
- 175.0604722
Names & identifiers
- Preferred name
- (3-Cyano-4-fluorophenyl)(ethenyl)borinic acid
- IUPAC
- (3-cyano-4-fluorophenyl)-ethenylborinic acid
Names & synonyms
DTXSID50740267(3-Cyano-4-fluorophenyl)(ethenyl)borinic acidB-(3-Cyano-4-fluorophenyl)-B-ethenylborinic acid
Database identifiers
- CAS
872495-63-1- PubChem CID
- 69337409
Properties
Computed structural properties
- Topological polar surface area
- 44 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 237
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Compound notes
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