Basic information
- CAS
52042-34-9- Standard SMILES
CCC1Oc2ccc(Br)cc2N(CC(O)CO)C1=O- InChIKey
FKJVSLUQHHEAOX-UHFFFAOYSA-N- Molecular formula
- C13H16BrNO4
- Average molar mass
- 330.17 g/mol
- Monoisotopic mass
- 329.02627
Names & identifiers
- Preferred name
- 2H-1,4-Benzoxazin-3(4H)-one, 6-bromo-4-(2,3-dihydroxypropyl)-2-ethyl-
- IUPAC
- 6-bromo-4-(2,3-dihydroxypropyl)-2-ethyl-1,4-benzoxazin-3-one
Names & synonyms
BRN 11401146-Bromo-4-(2,3-dihydroxypropyl)-2-ethyl-2H-1,4-benzoxazin-3(4H)-oneDTXSID109664062-Ethyl-3-oxo-4-(2,3-dihydroxypropyl)-6-bromo-2,3-dihydro-1,4-benzoxazine2H-1,4-Benzoxazin-3(4H)-one, 6-bromo-4-(2,3-dihydroxypropyl)-2-ethyl-RefChem:267975DTXCID50139404352042-34-9SCHEMBL11830087
Database identifiers
- CAS
52042-34-9- PubChem CID
- 3040331
- DTXSID
DTXSID10966406
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 70 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 328
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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