Basic information
- Standard SMILES
BrCC=CCOc1ccc2c(c1)CON=C2c1ccc(Br)cc1- InChIKey
KNOGKIHTOWGDTE-UHFFFAOYSA-N- Molecular formula
- C18H15Br2NO2
- Average molar mass
- 437.1 g/mol
- Monoisotopic mass
- 434.94695
Names & identifiers
- Preferred name
- 7-(4-bromo-but-2-enyloxy)-4-(4-bromo-phenyl)-1H-benzo[d][1,2]oxazine
- IUPAC
- 7-(4-bromobut-2-enoxy)-4-(4-bromophenyl)-1H-2,3-benzoxazine
Names & synonyms
SCHEMBL8759959KNOGKIHTOWGDTE-UHFFFAOYSA-N7-(4-bromo-but-2-enyloxy)-4-(4-bromo-phenyl)-1H-benzo[d][1,2]oxazine
Database identifiers
- PubChem CID
- 67684159
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 30.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 433
Related reactions
4 records
Compound notes
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