Basic information
- Standard SMILES
COc1ccc2c(=O)n(Cc3ccc(Br)cc3F)c(=O)oc2c1- InChIKey
VDGDYKMPCCUGGY-UHFFFAOYSA-N- Molecular formula
- C16H11BrFNO4
- Average molar mass
- 380.16 g/mol
- Monoisotopic mass
- 378.98555
Names & identifiers
- Preferred name
- 3-(4-Bromo-2-fluoro-benzyl)-7-methoxy benzo[e][1,3]oxazine-2,4-dione
- IUPAC
- 3-[(4-bromo-2-fluorophenyl)methyl]-7-methoxy-1,3-benzoxazine-2,4-dione
Names & synonyms
SCHEMBL5464015VDGDYKMPCCUGGY-UHFFFAOYSA-N3-(4-bromo-2-fluoro-benzyl)-7-methoxy benzo[e] [1,3] oxazine-2,4-dione3-(4-bromo-2-fluoro-benzyl)-7-methoxy benzo[e][1,3]oxazine-2,4-dione3-(4-bromo-2-fluoro-benzyl)-7-methoxy benzo[e][1,31 oxazine-2,4-dione
Database identifiers
- PubChem CID
- 18468174
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 477
Related reactions
4 records
Linked notes
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