Trifluoro-[[4-[4-(trifluoroboranuidylazaniumyl)phenyl]phenyl]azaniumyl]boranuide
Basic information
- CAS
1535-23-5- Standard SMILES
F[B-](F)(F)[NH2+]c1ccc(-c2ccc([NH2+][B-](F)(F)F)cc2)cc1- InChIKey
OBIDGHGBGDNSAG-UHFFFAOYSA-N- Molecular formula
- C12H12B2F6N2
- Average molar mass
- 319.9 g/mol
- Monoisotopic mass
- 320.1090777
Names & identifiers
- Preferred name
- Trifluoro-[[4-[4-(trifluoroboranuidylazaniumyl)phenyl]phenyl]azaniumyl]boranuide
- IUPAC
- trifluoro-[[4-[4-(trifluoroboranuidylazaniumyl)phenyl]phenyl]azaniumyl]boranuide
Names & synonyms
1535-23-5NSC 63080NSC63080trifluoro-[[4-[4-(trifluoroboranuidylazaniumyl)phenyl]phenyl]azaniumyl]boranuideDTXSID80328870NSC-63080
Database identifiers
- CAS
1535-23-5- PubChem CID
- 414714
- DTXSID
DTXSID80328870
Properties
Computed structural properties
- Topological polar surface area
- 33.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 313
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…