1,4-Diphenyl-3-chloro-3-ethoxycarbonyl-azetidin-2-one
Basic information
- CAS
60180-65-6- Standard SMILES
CCOC(=O)C1(Cl)C(=O)N(c2ccccc2)C1c1ccccc1- InChIKey
OYQRPPSBCFRTGW-UHFFFAOYSA-N- Molecular formula
- C18H16ClNO3
- Average molar mass
- 329.8 g/mol
- Monoisotopic mass
- 329.0818711
Names & identifiers
- Preferred name
- 1,4-Diphenyl-3-chloro-3-ethoxycarbonyl-azetidin-2-one
- IUPAC
- ethyl 3-chloro-2-oxo-1,4-diphenylazetidine-3-carboxylate
- English name
- 1,4-Diphenyl-3-chloro-3-ethoxycarbonyl-azetidin-2-one
- Molecular formula
- C18H16ClNO3
- Molecular weight
- 329.78
Names & synonyms
1,4-Diphenyl-3-chloro-3-ethoxycarbonyl-azetidin-2-one60180-65-6DTXSID10339373RefChem:220810DTXCID50290454ethyl 3-chloro-2-oxo-1,4-diphenylazetidine-3-carboxylateOYQRPPSBCFRTGW-UHFFFAOYSA-NDB-311531Ethyl 3-chloro-2-oxo-1,4-diphenyl-3-azetidinecarboxylate #3-Azetidinecarboxylic acid, 3-chloro-2-oxo-1,4-diphenyl-, ethyl ester, trans- (9CI)
Database identifiers
- CAS
60180-65-6- PubChem CID
- 555702
- DTXSID
DTXSID10339373
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 46.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 457
Physicochemical properties
- Boiling point
- 511.2 · 511.2±50.0 °C(Predicted)
- Density
- 1.32 · 1.32±0.1 g/cm3(Predicted)
- pka
- -4.5 · -4.50±0.60(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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