2-(2-Ethoxyanilino)-2-oxoethyl 3-chlorobenzoate
Basic information
- CAS
6860-39-5- Standard SMILES
CCOc1ccccc1NC(=O)COC(=O)c1cccc(Cl)c1- InChIKey
FXUNJJJVTZTYLA-UHFFFAOYSA-N- Molecular formula
- C17H16ClNO4
- Average molar mass
- 333.8 g/mol
- Monoisotopic mass
- 333.0767857
Names & identifiers
- Preferred name
- 2-(2-Ethoxyanilino)-2-oxoethyl 3-chlorobenzoate
- IUPAC
- [2-(2-ethoxyanilino)-2-oxoethyl] 3-chlorobenzoate
Names & synonyms
6860-39-52-(2-Ethoxyanilino)-2-oxoethyl 3-chlorobenzoateOprea1_263104DTXSID40364693STL015519AKOS0056410392-[(2-ethoxyphenyl)amino]-2-oxoethyl 3-chlorobenzoate
Database identifiers
- CAS
6860-39-5- PubChem CID
- 1648165
- DTXSID
DTXSID40364693
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 64.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 404
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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