Basic information
- CAS
6770-12-3- Standard SMILES
COc1ccccc1C1=NC(=Cc2ccc(Br)cc2)C(=O)O1- InChIKey
NCGFUGZUNKGHCC-UHFFFAOYSA-N- Molecular formula
- C17H12BrNO3
- Average molar mass
- 358.2 g/mol
- Monoisotopic mass
- 357.00006
Names & identifiers
- Preferred name
- 4-[(4-Bromophenyl)methylidene]-2-(2-methoxyphenyl)-1,3-oxazol-5-one
- IUPAC
- 4-[(4-bromophenyl)methylidene]-2-(2-methoxyphenyl)-1,3-oxazol-5-one
Names & synonyms
6770-12-34-[(4-Bromophenyl)methylidene]-2-(2-methoxyphenyl)-1,3-oxazol-5(4H)-one4-[(4-bromophenyl)methylidene]-2-(2-methoxyphenyl)-1,3-oxazol-5-oneDTXSID90411227AKOS030689263
Database identifiers
- CAS
6770-12-3- PubChem CID
- 5223387
- DTXSID
DTXSID90411227
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 47.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 480
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…