Trifluoro-[[2-methyl-4-[3-methyl-4-(trifluoroboranuidylazaniumyl)phenyl]phenyl]azaniumyl]boranuide
Basic information
- CAS
2263-75-4- Standard SMILES
Cc1cc(-c2ccc([NH2+][B-](F)(F)F)c(C)c2)ccc1[NH2+][B-](F)(F)F- InChIKey
XKWPQFPYJCQMLJ-UHFFFAOYSA-N- Molecular formula
- C14H16B2F6N2
- Average molar mass
- 347.9 g/mol
- Monoisotopic mass
- 348.1403778
Names & identifiers
- Preferred name
- Trifluoro-[[2-methyl-4-[3-methyl-4-(trifluoroboranuidylazaniumyl)phenyl]phenyl]azaniumyl]boranuide
- IUPAC
- trifluoro-[[2-methyl-4-[3-methyl-4-(trifluoroboranuidylazaniumyl)phenyl]phenyl]azaniumyl]boranuide
Names & synonyms
2263-75-4NSC63081trifluoro-[[2-methyl-4-[3-methyl-4-(trifluoroboranuidylazaniumyl)phenyl]phenyl]azaniumyl]boranuideDTXSID40328871NSC-63081
Database identifiers
- CAS
2263-75-4- PubChem CID
- 414716
- DTXSID
DTXSID40328871
Properties
Computed structural properties
- Topological polar surface area
- 33.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 379
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…