2-(2-naphthylsulfonyl)-3-phenyl-5(2H)-isoxazolone
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Basic information
- CAS
303987-08-8- Standard SMILES
O=c1cc(-c2ccccc2)n(S(=O)(=O)c2ccc3ccccc3c2)o1- InChIKey
STKZTELQLZNCBT-UHFFFAOYSA-N- Molecular formula
- C19H13NO4S
- Average molar mass
- 351.4 g/mol
- Monoisotopic mass
- 351.05652907
Names & identifiers
- Preferred name
- 2-(2-naphthylsulfonyl)-3-phenyl-5(2H)-isoxazolone
- IUPAC
- 2-naphthalen-2-ylsulfonyl-3-phenyl-1,2-oxazol-5-one
- English name
- 2-(2-NAPHTHYLSULFONYL)-3-PHENYL-5(2H)-ISOXAZOLONE
- Molecular formula
- C19H13NO4S
- Molecular weight
- 351.38
Names & synonyms
303987-08-82-(2-naphthylsulfonyl)-3-phenyl-5(2H)-isoxazolone2-(naphthalene-2-sulfonyl)-3-phenyl-2,5-dihydro-1,2-oxazol-5-one2-naphthalen-2-ylsulfonyl-3-phenyl-1,2-oxazol-5-oneC19H13NO4SSMR000126615Bionet1_003325Oprea1_081909MLS000544858CHEMBL1718226HMS578C07HMS2340E22
Show more names
5(2H)-Isoxazolone, 2-(2-naphthalenylsulfonyl)-3-phenyl-
MFCD01568228AKOS0050784112-(2-naphthylsulfonyl)-3-phenyl-isoxazol-5-one11M-9212-(Naphthalen-2-ylsulfonyl)-3-phenylisoxazol-5(2H)-one
Database identifiers
- CAS
303987-08-8- PubChem CID
- 2767658
- ChEMBL
CHEMBL1718226
Properties
Computed structural propertiesFilling in
- XLogP
- 3.9
- Topological polar surface area
- 72.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 645
Physicochemical properties
- Boiling point
- 553 · 553.0±53.0 °C(Predicted)
- Density
- 1.439 · 1.439±0.06 g/cm3(Predicted)
- pka
- -23.1 · -23.10±0.40(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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