Basic information
- Standard SMILES
CC1=CC(=O)N(c2cc([NH3+])cc(N3C(=O)C=C(C)C3=O)c2)C1=O.O=C([O-])C(F)(F)F- InChIKey
XAPDXOVPMUWPBM-UHFFFAOYSA-N- Molecular formula
- C18H14F3N3O6
- Average molar mass
- 425.3 g/mol
Names & identifiers
- Preferred name
- 3,5-Di-(3-methylmaleimido)anilinium trifluoroacetate
- IUPAC
- [3,5-bis(3-methyl-2,5-dioxopyrrol-1-yl)phenyl]azanium;2,2,2-trifluoroacetate
Names & synonyms
3,5-Di-(3-methylmaleimido)anilinium trifluoroacetate
Database identifiers
- PubChem CID
- 68007149
Properties
Computed structural properties
- Topological polar surface area
- 143 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 2
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 701
Related reactions
2 records
Compound notes
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