Basic information
- CAS
355817-01-5- Standard SMILES
Nc1ccc(C(=O)OCC(=O)c2ccc(Cl)cc2)cc1- InChIKey
FLPVOTGWQVLHQS-UHFFFAOYSA-N- Molecular formula
- C15H12ClNO3
- Average molar mass
- 289.71 g/mol
- Monoisotopic mass
- 289.0505709
Names & identifiers
- Preferred name
- 2-(4-Chlorophenyl)-2-oxoethyl 4-aminobenzoate
- IUPAC
- [2-(4-chlorophenyl)-2-oxoethyl] 4-aminobenzoate
- English name
- 2-(4-chlorophenyl)-2-oxoethyl 4-aminobenzoate
- Molecular formula
- C15H12ClNO3
- Molecular weight
- 289.71
Names & synonyms
2-(4-chlorophenyl)-2-oxoethyl 4-aminobenzoate355817-01-52-[(4-Aminobenzoyl)oxy]-1-(4-chlorophenyl)ethanone[2-(4-chlorophenyl)-2-oxoethyl] 4-aminobenzoateCHEMBL2159853DTXSID901227862STK253734AKOS002665052ST50855799AK-918/40959634SR-01000250554SR-01000250554-1
Show more names
Ethanone, 2-[(4-aminobenzoyl)oxy]-1-(4-chlorophenyl)-
Database identifiers
- CAS
355817-01-5- PubChem CID
- 804571
- DTXSID
DTXSID901227862- ChEMBL
CHEMBL2159853
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 69.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 345
Physicochemical properties
- Boiling point
- 509.9 · 509.9±35.0 °C(Predicted)
- Density
- 1.332 · 1.332±0.06 g/cm3(Predicted)
- pka
- 1.98 · 1.98±0.10(Predicted)
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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