Basic information
- CAS
88735-52-8- Standard SMILES
O=c1oc2ccccc2cc1-c1csc(-c2ccc(Cl)cc2)n1- InChIKey
ODCBXNLMFOQBSO-UHFFFAOYSA-N- Molecular formula
- C18H10ClNO2S
- Average molar mass
- 339.8 g/mol
- Monoisotopic mass
- 339.0120774
Names & identifiers
- Preferred name
- 2H-1-Benzopyran-2-one, 3-[2-(4-chlorophenyl)-4-thiazolyl]-
- IUPAC
- 3-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]chromen-2-one
Names & synonyms
3-[2-(4-Chlorophenyl)-1,3-thiazol-4-yl]-2H-1-benzopyran-2-one2H-1-Benzopyran-2-one, 3-[2-(4-chlorophenyl)-4-thiazolyl]-88735-52-8Oprea1_394196DTXSID50399310AKOS002102970WAY-334671EU-0027208SR-01000555176SR-01000555176-1BRD-K71477312-001-01-03-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-2H-chromen-2-one
Database identifiers
- CAS
88735-52-8- PubChem CID
- 4100231
- DTXSID
DTXSID50399310
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 67.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 489
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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