Basic information
- Standard SMILES
CCOC(=O)C(Br)(Oc1cccc2[nH]ccc12)C(=O)OCC- InChIKey
LFLZOVUHKPVJDA-UHFFFAOYSA-N- Molecular formula
- C15H16BrNO5
- Average molar mass
- 370.19 g/mol
- Monoisotopic mass
- 369.02119
Names & identifiers
- Preferred name
- Diethyl 2-bromo-2-(indol-4-yloxy)malonate
- IUPAC
- diethyl 2-bromo-2-(1H-indol-4-yloxy)propanedioate
Names & synonyms
SCHEMBL3375106LFLZOVUHKPVJDA-UHFFFAOYSA-Ndiethyl 2-bromo-2-(indol-4-yloxy)malonate
Database identifiers
- PubChem CID
- 11639270
- Nikkaji
- J2.227.670K
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 77.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 399
Related reactions
2 records
Compound notes
Loading…