Basic information
- Standard SMILES
O=C1COCC2(N1)c1cc(O)ccc1Oc1ccc(Br)cc12- InChIKey
MRZJLKJQYDJZDB-UHFFFAOYSA-N- Molecular formula
- C16H12BrNO4
- Average molar mass
- 362.17 g/mol
- Monoisotopic mass
- 360.99497
Names & identifiers
- Preferred name
- 2'-Bromo-7'-hydroxyspiro[morpholine-3,9'-xanthen]-5-one
- IUPAC
- 2'-bromo-7'-hydroxyspiro[morpholine-5,9'-xanthene]-3-one
Names & synonyms
SCHEMBL2521072MRZJLKJQYDJZDB-UHFFFAOYSA-N2'-bromo-7'-hydroxyspiro[morpholine-3,9'-xanthen]-5-one
Database identifiers
- PubChem CID
- 67437518
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 67.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 461
Related reactions
3 records
Compound notes
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