Basic information
- Standard SMILES
CCOC(=O)c1c(-c2ccc(Br)cc2F)noc1C- InChIKey
JWOQTZFUFKTZRP-UHFFFAOYSA-N- Molecular formula
- C13H11BrFNO3
- Average molar mass
- 328.13 g/mol
Names & identifiers
- Preferred name
- Ethyl 3-(4-bromo-2-fluorophenyl)-5-methylisoxazole-4-carboxylate
- IUPAC
- ethyl 3-(4-bromo-2-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxylate
Names & synonyms
334971-45-8Ethyl 3-(4-bromo-2-fluorophenyl)-5-methylisoxazole-4-carboxylateSCHEMBL5771514JWOQTZFUFKTZRP-UHFFFAOYSA-N4-ethoxycarbonyl-5-methyl-3-(2-fluoro-4-bromophenyl)isoxazoleMFCD22370410SY332174
Database identifiers
- PubChem CID
- 18756263
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 52.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 331
Related reactions
3 records
Compound notes
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