Basic information
- CAS
79484-59-6- Standard SMILES
O=C(NC[N+]12CCO[B-]1(c1ccc(Cl)cc1)OCC2)c1ccccc1O- InChIKey
GYVDJCWVQXSCDU-UHFFFAOYSA-N- Molecular formula
- C18H20BClN2O4
- Average molar mass
- 374.6 g/mol
- Monoisotopic mass
- 374.120465
Names & identifiers
- Preferred name
- N-[[1-(4-chlorophenyl)-2,8-dioxa-5-azonia-1-boranuidabicyclo[3.3.0]octan-5-yl]methyl]-2-hydroxybenzamide
- IUPAC
- N-[[1-(4-chlorophenyl)-2,8-dioxa-5-azonia-1-boranuidabicyclo[3.3.0]octan-5-yl]methyl]-2-hydroxybenzamide
Names & synonyms
79484-59-6NSC337269DTXSID00330935AG-H-18897NSC-337269(4-Chlorophenyl)[2,2'-{[(2-hydroxybenzamido)methyl]azanediyl-kappaN}di(ethan-1-olato-kappaO)]boron
Database identifiers
- CAS
79484-59-6- PubChem CID
- 433719
- DTXSID
DTXSID00330935
Properties
Computed structural properties
- Topological polar surface area
- 67.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 519
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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