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Basic information
- Standard SMILES
COCOc1c(C)cc(C(=O)OC)cc1F- InChIKey
ICFGEIREPLBIGE-UHFFFAOYSA-N- Molecular formula
- C11H13FO4
- Average molar mass
- 228.22 g/mol
- Monoisotopic mass
- 228.07978705
Names & identifiers
- Preferred name
- 3-Fluoro-4-methoxymethoxy-5-methylbenzoic acid methyl ester
- IUPAC
- methyl 3-fluoro-4-(methoxymethoxy)-5-methylbenzoate
Names & synonyms
SCHEMBL402919ICFGEIREPLBIGE-UHFFFAOYSA-N3-Fluoro-4-methoxymethoxy-5-methylbenzoic acid methyl ester
Database identifiers
- PubChem CID
- 58629751
Properties
Computed structural propertiesFilling in
- XLogP
- 2.2
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 234
Related reactions
2 records
Compound notes
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