Ethyl (2R/S)-3-(3-bromo-1,4-naphthoquinon-2-yl)-2-methylpropionate
Basic information
- Standard SMILES
CCOC(=O)C(C)CC1=C(Br)C(=O)c2ccccc2C1=O- InChIKey
GVNSUNHNWSESRF-UHFFFAOYSA-N- Molecular formula
- C16H15BrO4
- Average molar mass
- 351.19 g/mol
- Monoisotopic mass
- 350.01537
Names & identifiers
- Preferred name
- Ethyl (2R/S)-3-(3-bromo-1,4-naphthoquinon-2-yl)-2-methylpropionate
- IUPAC
- ethyl 3-(3-bromo-1,4-dioxonaphthalen-2-yl)-2-methylpropanoate
Names & synonyms
SCHEMBL13080202GVNSUNHNWSESRF-UHFFFAOYSA-NEthyl (2R/S)-3-(3-bromo-1,4-naphthoquinon-2-yl)-2-methylpropionate
Database identifiers
- PubChem CID
- 70835151
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 60.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 495
Related reactions
2 records
Compound notes
Loading…