Basic information
- CAS
1309676-50-3- Standard SMILES
C[N+]12CC(=O)O[B-]1(c1ccc(C=O)cc1F)OC(=O)C2- InChIKey
VCZXPNSOCUNPIT-UHFFFAOYSA-N- Molecular formula
- C12H11BFNO5
- Average molar mass
- 279.03 g/mol
- Monoisotopic mass
- 279.0714308
Names & identifiers
- Preferred name
- 3-Fluoro-4-(5-methyl-3,7-dioxo-2,8-dioxa-5-azonia-1-boranuidabicyclo[3.3.0]octan-1-yl)benzaldehyde
- IUPAC
- 3-fluoro-4-(5-methyl-3,7-dioxo-2,8-dioxa-5-azonia-1-boranuidabicyclo[3.3.0]octan-1-yl)benzaldehyde
Database identifiers
- CAS
1309676-50-3- PubChem CID
- 53359862
Properties
Computed structural properties
- Topological polar surface area
- 69.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 464
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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