(5-Fluoropyridin-3-yl)methyl octadecanoate
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Basic information
- CAS
37744-27-7- Standard SMILES
CCCCCCCCCCCCCCCCCC(=O)OCc1cncc(F)c1- InChIKey
NDJPLQIPBRPDNK-UHFFFAOYSA-N- Molecular formula
- C24H40FNO2
- Average molar mass
- 393.6 g/mol
- Monoisotopic mass
- 393.30430768
Names & identifiers
- Preferred name
- (5-Fluoropyridin-3-yl)methyl octadecanoate
- IUPAC
- (5-fluoro-3-pyridinyl)methyl octadecanoate
- English name
- (5-fluoropyridin-3-yl)methyl octadecanoate
- Molecular formula
- C24H40FNO2
- Molecular weight
- 0
Names & synonyms
(5-fluoropyridin-3-yl)methyl octadecanoate37744-27-7Octadecanoic acid, (5-fluoro-3-pyridinyl)methyl esterBRN 1498704(5-Fluoro-3-pyridinyl)methyl octadecanoateDTXSID60191185
Database identifiers
- CAS
37744-27-7- PubChem CID
- 216819
- DTXSID
DTXSID60191185
Properties
Computed structural propertiesFilling in
- XLogP
- 9.1
- Topological polar surface area
- 39.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 19
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 365
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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