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Basic information
- Standard SMILES
CC1(C)COB(c2cccc(F)c2C#N)OC1- InChIKey
JZZCOVGUHOGHGB-UHFFFAOYSA-N- Molecular formula
- C12H13BFNO2
- Average molar mass
- 233.05 g/mol
Names & identifiers
- Preferred name
- 6-(5,5-Dimethyl[1,3,2]dioxaborinan-2-yl)-2-fluorobenzonitrile
- IUPAC
- 2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-6-fluorobenzonitrile
Names & synonyms
SCHEMBL2649862JZZCOVGUHOGHGB-UHFFFAOYSA-N6-(5,5-dimethyl[1,3,2]dioxaborinan-2-yl)-2-fluorobenzonitrile
Database identifiers
- PubChem CID
- 11680248
- Nikkaji
- J2.307.657H
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 42.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 318
Related reactions
2 records
Compound notes
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