2-(2-Chloro-4-nitrophenoxy)-1-(2,3-dihydroindol-1-yl)ethanone
Basic information
- CAS
802973-37-1- Standard SMILES
O=C(COc1ccc([N+](=O)[O-])cc1Cl)N1CCc2ccccc21- InChIKey
HURKHSKGBAIOFW-UHFFFAOYSA-N- Molecular formula
- C16H13ClN2O4
- Average molar mass
- 332.74 g/mol
- Monoisotopic mass
- 332.0563846
Names & identifiers
- Preferred name
- 2-(2-Chloro-4-nitrophenoxy)-1-(2,3-dihydroindol-1-yl)ethanone
- IUPAC
- 2-(2-chloro-4-nitrophenoxy)-1-(2,3-dihydroindol-1-yl)ethanone
Names & synonyms
2-(2-chloro-4-nitrophenoxy)-1-(2,3-dihydroindol-1-yl)ethanoneMLS002245521CHEMBL1723834DTXSID301319956HMS3074F08AKOS017011049802973-37-1SMR000826724SR-01000069530SR-01000069530-1Z198080512-(2-chloro-4-nitrophenoxy)-1-(2,3-dihydro-1H-indol-1-yl)ethan-1-one
Database identifiers
- CAS
802973-37-1- PubChem CID
- 3974490
- DTXSID
DTXSID301319956- ChEMBL
CHEMBL1723834
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 75.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 456
Experimental & physicochemical properties
Solubility2.4 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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