Base information
| Cat. No. | |
| CAS No. | 229311-99-3 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C31H37BN3 |
| Molecular Weight | 463.465 |
| Exact Mass | 463.316 |
| XLogP3 | 6.097 |
| Mr | 164.228 |
| PSA | 27.63 |
| Sequence | - |
| Atom number | 73 |
| Bond number | 76 |
| Ring number | 6 |
| Rotor number | 4 |
| Residues number | 0 |
| Canonical smiles | C1=CC=CC=[CH-]1[B+3]([CH-]1=CC=CC=C1)([CH-]1=CC=CC=C1)[CH-]1=CC=CC=C1.C1CNC2=NCCCN2C1.[H+] |