Trifluoro-[[2-methoxy-4-[3-methoxy-4-(trifluoroboranuidylazaniumyl)phenyl]phenyl]azaniumyl]boranuide
Basic information
- CAS
2263-76-5- Standard SMILES
COc1cc(-c2ccc([NH2+][B-](F)(F)F)c(OC)c2)ccc1[NH2+][B-](F)(F)F- InChIKey
WNRNKZVQFURPHF-UHFFFAOYSA-N- Molecular formula
- C14H16B2F6N2O2
- Average molar mass
- 379.9 g/mol
- Monoisotopic mass
- 380.1302071
Names & identifiers
- Preferred name
- Trifluoro-[[2-methoxy-4-[3-methoxy-4-(trifluoroboranuidylazaniumyl)phenyl]phenyl]azaniumyl]boranuide
- IUPAC
- trifluoro-[[2-methoxy-4-[3-methoxy-4-(trifluoroboranuidylazaniumyl)phenyl]phenyl]azaniumyl]boranuide
Names & synonyms
2263-76-5NSC63082trifluoro-[[2-methoxy-4-[3-methoxy-4-(trifluoroboranuidylazaniumyl)phenyl]phenyl]azaniumyl]boranuideDTXSID00328872NSC-63082
Database identifiers
- CAS
2263-76-5- PubChem CID
- 414718
- DTXSID
DTXSID00328872
Properties
Computed structural properties
- Topological polar surface area
- 51.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 414
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Related reactions
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Compound notes
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