Basic information
- Standard SMILES
Cc1cccc(OS(=O)(=O)C(F)(F)F)c1[N+](=O)[O-]- InChIKey
VDOLNKPQOQPEFX-UHFFFAOYSA-N- Molecular formula
- C8H6F3NO5S
- Average molar mass
- 285.2 g/mol
Names & identifiers
- Preferred name
- 3-Methyl-2-nitrophenyl trifluoromethanesulphonate
- IUPAC
- (3-methyl-2-nitrophenyl) trifluoromethanesulfonate
Names & synonyms
145209-21-83-Methyl-2-nitrophenyl trifluoromethanesulphonate2-Nitro-m-tolyl triflate3-Methyl-2-nitrophenyl trifluoromethanesulfonateMFCD25541870(3-methyl-2-nitrophenyl) trifluoromethanesulfonateSCHEMBL5201324Methanesulfonic acid, 1,1,1-trifluoro-, 3-methyl-2-nitrophenyl esterAKOS037655296PS-104063-Methyl-2-nitrophenyltrifluoromethanesulphonate(3-methyl-2-nitro-phenyl) trifluoromethanesulfonate
Show more names
trifluoromethanesulfonic acid 3-methyl-2-nitrophenyl ester
Database identifiers
- PubChem CID
- 15869552
- Nikkaji
- J1.224.445B
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 97.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 410
Related reactions
2 records
Compound notes
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