Basic information
- Standard SMILES
CCOC(=O)Cc1c(C)noc1-c1ccc(Br)cc1- InChIKey
XPZGYWNVLKWUSE-UHFFFAOYSA-N- Molecular formula
- C14H14BrNO3
- Average molar mass
- 324.17 g/mol
Names & identifiers
- Preferred name
- [5-(4-Bromo-phenyl)-3-methyl-isoxazol-4-yl]acetic acid ethyl ester
- IUPAC
- ethyl 2-[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]acetate
Names & synonyms
SCHEMBL1555XPZGYWNVLKWUSE-UHFFFAOYSA-N[5-(4-Bromo-phenyl)-3-methyl-isoxazol-4-yl]acetic acid ethyl ester[5-(4-bromo-phenyl)-3-methyl-isoxazol-4-yl]-acetic acid ethyl ester
Database identifiers
- PubChem CID
- 66577263
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 52.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 305
Related reactions
8 records
Compound notes
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