Gadolinium,4,4-trifluoro-1-(2-thienyl)-1,3-butanedionato]-
Basic information
- CAS
14054-89-8- Standard SMILES
O=C(CC(=O)C(F)(F)F)c1cccs1.O=C(CC(=O)C(F)(F)F)c1cccs1.O=C(CC(=O)C(F)(F)F)c1cccs1.[Gd]- InChIKey
PKCBWHWMJMSEEN-UHFFFAOYSA-N- Molecular formula
- C24H15F9GdO6S3
- Average molar mass
- 823.8 g/mol
- Monoisotopic mass
- 823.91282
Names & identifiers
- Preferred name
- Gadolinium,4,4-trifluoro-1-(2-thienyl)-1,3-butanedionato]-
- IUPAC
- gadolinium;tris(4,4,4-trifluoro-1-thiophen-2-ylbutane-1,3-dione)
Names & synonyms
NSC270084NSC-270084Gadolinium,4,4-trifluoro-1-(2-thienyl)-1,3-butanedionato]-Gadolinium,4,4-trifluoro-1-(2-thienyl)-1,3-butanedionato-O,O']-
Database identifiers
- CAS
14054-89-8- PubChem CID
- 430249
Properties
Computed structural properties
- Topological polar surface area
- 187 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 18
- Rotatable bonds
- 3
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 879
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Compound notes
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