Basic information
- CAS
24833-15-6- Standard SMILES
Cc1cc(C(=O)OCc2cncc(F)c2)no1- InChIKey
WEZOJBKFKOHPLM-UHFFFAOYSA-N- Molecular formula
- C11H9FN2O3
- Average molar mass
- 236.2 g/mol
- Monoisotopic mass
- 236.05972032
Names & identifiers
- Preferred name
- 3-Isoxazolecarboxylic acid, 5-methyl-, (5-fluoro-3-pyridinyl)methyl ester
- IUPAC
- (5-fluoro-3-pyridinyl)methyl 5-methyl-1,2-oxazole-3-carboxylate
Names & synonyms
24833-15-6BRN 05330773-Isoxazolecarboxylic acid, 5-methyl-, (5-fluoro-3-pyridinyl)methyl ester(5-Fluoro-3-pyridinyl)methyl 5-methyl-3-isoxazolecarboxylateDTXSID00179543RefChem:280268DTXCID60102034(5-Fluoropyridin-3-yl)methyl 5-methylisoxazole-3-carboxylate(5-fluoropyridin-3-yl)methyl 5-methyl-1,2-oxazole-3-carboxylate
Database identifiers
- CAS
24833-15-6- PubChem CID
- 212752
- DTXSID
DTXSID00179543
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 65.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 277
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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