Trifluoro-[[4-[2-[4-(trifluoroboranuidylazaniumyl)phenyl]ethyl]phenyl]azaniumyl]boranuide
Basic information
- CAS
1894-35-5- Standard SMILES
F[B-](F)(F)[NH2+]c1ccc(CCc2ccc([NH2+][B-](F)(F)F)cc2)cc1- InChIKey
YMTKLVJLYRGPAQ-UHFFFAOYSA-N- Molecular formula
- C14H16B2F6N2
- Average molar mass
- 347.9 g/mol
- Monoisotopic mass
- 348.1403778
Names & identifiers
- Preferred name
- Trifluoro-[[4-[2-[4-(trifluoroboranuidylazaniumyl)phenyl]ethyl]phenyl]azaniumyl]boranuide
- IUPAC
- trifluoro-[[4-[2-[4-(trifluoroboranuidylazaniumyl)phenyl]ethyl]phenyl]azaniumyl]boranuide
Names & synonyms
1894-35-5NSC409102trifluoro-[[4-[2-[4-(trifluoroboranuidylazaniumyl)phenyl]ethyl]phenyl]azaniumyl]boranuideDTXSID50331316NSC-409102
Database identifiers
- CAS
1894-35-5- PubChem CID
- 437145
- DTXSID
DTXSID50331316
Properties
Computed structural properties
- Topological polar surface area
- 33.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 338
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Compound notes
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