{[2-(2-Acetoxyethyl)-6,7-dichloro-2,3-dihydro-1-oxo-2-(3-oxobutyl)-1H-inden-5-yl]oxy}acetonitrile
Completing data — refresh the page later to see the latest
Basic information
- Standard SMILES
CC(=O)CCC1(CCOC(C)=O)Cc2cc(OCC#N)c(Cl)c(Cl)c2C1=O- InChIKey
AOCANVKXEFVFBG-UHFFFAOYSA-N- Molecular formula
- C19H19Cl2NO5
- Average molar mass
- 412.3 g/mol
Names & identifiers
- Preferred name
- {[2-(2-Acetoxyethyl)-6,7-dichloro-2,3-dihydro-1-oxo-2-(3-oxobutyl)-1H-inden-5-yl]oxy}acetonitrile
- IUPAC
- 2-[4,5-dichloro-6-(cyanomethoxy)-3-oxo-2-(3-oxobutyl)-1H-inden-2-yl]ethyl acetate
Names & synonyms
SCHEMBL10658143AOCANVKXEFVFBG-UHFFFAOYSA-N{[2-(2-Acetoxyethyl)-6,7-dichloro-2,3-dihydro-1-oxo-2-(3-oxobutyl)-1H-inden-5-yl]oxy}acetonitrile
Database identifiers
- PubChem CID
- 20148940
Properties
Computed structural propertiesFilling in
- XLogP
- 2.8
- Topological polar surface area
- 93.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 645
Related reactions
2 records
Compound notes
Loading…