Cesium tetrakis[3,5-bis(trifluoromethyl)phenyl]borate | SBID = 1242 | Compound | Custom Molecule
Structure
Molecular Properties
| Interactions: | 1 | ||
| PubChem TPSA/Å2: | |||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | |||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 0.0 | ||
| Number of H-Bond Acceptors: | 25.0 | ||
| Number of Stereogenic Bonds (E/Z): | |||
| Number of Stereogenic Atoms (R/S): | |||
| 3D Volume/Å3: | |||
| Sum Formula: | C32H12BCsF24 | ||
| M / g/mol: | 996.1158068 | ||
| Complexity: | |||
| Number of Conformers: |
Identifiers
- Tags: typical guest
- Name: Cesium tetrakis[3,5-bis(trifluoromethyl)phenyl]borate
- Preferred Abbreviation: Cesium tetrakis[3,5-bis(trifluoromethyl)phenyl]borate
- IUPAC Name:
- CAS: 1253189-78-4
- CID: -414
- InChiKey: GPIXZPOGRJPBNB-UHFFFAOYSA-N
- InChi: InChI=1S/C32H12BF24.Cs/c34-25(35,36)13-1-14(26(37,38)39)6-21(5-13)33(22-7-15(27(40,41)42)2-16(8-22)28(43,44)45,23-9-17(29(46,47)48)3-18(10-23)30(49,50)51)24-11-19(31(52,53)54)4-20(12-24)32(55,56)57;/h1-12H;/q-1;+1
- CanoSmiles: FC(c1cc(cc(c1)C(F)(F)F)[B-](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)(F)F.[Cs+]
- IsoSmiles: FC(C1=CC([B-](C2=CC(C(F)(F)F)=CC(C(F)(F)F)=C2)(C3=CC(C(F)(F)F)=CC(C(F)(F)F)=C3)C4=CC(C(F)(F)F)=CC(C(F)(F)F)=C4)=CC(C(F)(F)F)=C1)(F)F.[Cs+]
