Basic information
- CAS
1261852-06-5- Standard SMILES
COC(=O)CCc1c(F)cccc1OC- InChIKey
CIABMNDEFBTURP-UHFFFAOYSA-N- Molecular formula
- C11H13FO3
- Average molar mass
- 212.22 g/mol
- Monoisotopic mass
- 212.08487243
Names & identifiers
- Preferred name
- Methyl 3-(2-fluoro-6-methoxyphenyl)propanoate
- IUPAC
- methyl 3-(2-fluoro-6-methoxyphenyl)propanoate
Names & synonyms
DTXSID001201653Methyl 3-(2-fluoro-6-methoxyphenyl)propanoateBenzenepropanoic acid, 2-fluoro-6-methoxy-, methyl ester1261852-06-5
Database identifiers
- CAS
1261852-06-5- PubChem CID
- 83808917
- DTXSID
DTXSID001201653
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 208
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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