Basic information
- Standard SMILES
CCOC(=O)Cc1c(Cl)ccc2cc(OS(=O)(=O)C(F)(F)F)ccc12- InChIKey
MTVHJGKHCQKUGC-UHFFFAOYSA-N- Molecular formula
- C15H12ClF3O5S
- Average molar mass
- 396.8 g/mol
Names & identifiers
- Preferred name
- (2-Chloro-6-trifluoromethanesulfonyloxy-naphthalen-1-yl)-acetic acid ethyl ester
- IUPAC
- ethyl 2-[2-chloro-6-(trifluoromethylsulfonyloxy)naphthalen-1-yl]acetate
Names & synonyms
(2-Chloro-6-trifluoromethanesulfonyloxy-naphthalen-1-yl)-acetic acid ethyl esterSCHEMBL3588873
Database identifiers
- PubChem CID
- 86623398
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 78.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 575
Related reactions
1 records
Compound notes
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