3-Methyl-2-nitrophenyl trifluoromethanesulphonate

HCID 15869552

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

Related reactions

2 records

Compound notes

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