Basic information
- Standard SMILES
COC(=O)[C@@H](C)COc1ccc(C#N)c(F)c1- InChIKey
NHJVVJLJKHOFJB-QMMMGPOBSA-N- Molecular formula
- C12H12FNO3
- Average molar mass
- 237.23 g/mol
- Monoisotopic mass
- 237.08012141
Names & identifiers
- Preferred name
- (S)-3-(4-Cyano-3-fluoro-phenoxy)-2-methyl-propionic acid methyl ester
- IUPAC
- methyl (2S)-3-(4-cyano-3-fluorophenoxy)-2-methylpropanoate
Names & synonyms
SCHEMBL5400493NHJVVJLJKHOFJB-QMMMGPOBSA-N(S)-3-(4-Cyano-3-fluoro-phenoxy)-2-methyl-propionic acid methyl ester
Database identifiers
- PubChem CID
- 60128036
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 59.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 312
Related reactions
2 records
Compound notes
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