Basic information
- Standard SMILES
CCOc1cc(C(F)(F)F)ccc1C=CC(=O)OC- InChIKey
QHSOVBONDLVAJJ-UHFFFAOYSA-N- Molecular formula
- C13H13F3O3
- Average molar mass
- 274.23 g/mol
- Monoisotopic mass
- 274.08167876
Names & identifiers
- Preferred name
- 3-(2-Ethoxy-4-trifluoromethyl-phenyl)-acrylic acid methyl ester
- IUPAC
- methyl 3-[2-ethoxy-4-(trifluoromethyl)phenyl]prop-2-enoate
Names & synonyms
3-(2-ethoxy-4-trifluoromethyl-phenyl)-acrylic acid methyl esterSCHEMBL953704
Database identifiers
- PubChem CID
- 66855439
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 326
Related reactions
4 records
Compound notes
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