Ethyl 4-(5-chloro-3-oxo-2(3H)-isothiazolyl)benzoate
Basic information
- CAS
748777-48-2- Standard SMILES
CCOC(=O)c1ccc(-n2sc(Cl)cc2=O)cc1- InChIKey
YHDDXJSOKQSPNH-UHFFFAOYSA-N- Molecular formula
- C12H10ClNO3S
- Average molar mass
- 283.73 g/mol
- Monoisotopic mass
- 283.006992
Names & identifiers
- Preferred name
- Ethyl 4-(5-chloro-3-oxo-2(3H)-isothiazolyl)benzoate
- IUPAC
- ethyl 4-(5-chloro-3-oxo-1,2-thiazol-2-yl)benzoate
Names & synonyms
Ethyl 4-(5-chloro-3-oxo-2(3H)-isothiazolyl)benzoateDTXSID301224139748777-48-2Ethyl 4-(5-chloro-3-oxo-1,2-thiazol-2(3H)-yl)benzoate
Database identifiers
- CAS
748777-48-2- PubChem CID
- 11818436
- DTXSID
DTXSID301224139
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 71.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 378
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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