Basic information
- Standard SMILES
Brc1ccc(-c2cc(-c3cncnc3)no2)cc1- InChIKey
AKGFVHMPLXIUSC-UHFFFAOYSA-N- Molecular formula
- C13H8BrN3O
- Average molar mass
- 302.13 g/mol
Names & identifiers
- Preferred name
- 5-(4-Bromophenyl)-3-(pyrimidin-5-yl)isoxazole
- IUPAC
- 5-(4-bromophenyl)-3-pyrimidin-5-yl-1,2-oxazole
Names & synonyms
SCHEMBL4324241AKGFVHMPLXIUSC-UHFFFAOYSA-N5-(4-Bromophenyl)-3-(pyrimidin-5-yl)isoxazole
Database identifiers
- PubChem CID
- 44546479
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 51.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 265
Related reactions
1 records
Compound notes
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