1,3-Dihydro-2,2-dioxo-4-chloro-7-nitro-2,1-benzisothiazole
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Basic information
- Standard SMILES
O=[N+]([O-])c1ccc(Cl)c2c1NS(=O)(=O)C2- InChIKey
MVQBGJDBFCADIK-UHFFFAOYSA-N- Molecular formula
- C7H5ClN2O4S
- Average molar mass
- 248.64 g/mol
Names & identifiers
- Preferred name
- 1,3-Dihydro-2,2-dioxo-4-chloro-7-nitro-2,1-benzisothiazole
- IUPAC
- 4-chloro-7-nitro-1,3-dihydro-2,1-benzothiazole 2,2-dioxide
Names & synonyms
SCHEMBL7803123MVQBGJDBFCADIK-UHFFFAOYSA-N1,3-dihydro-2,2-dioxo-4-chloro-7-nitro-2,1-benzisothiazole
Database identifiers
- PubChem CID
- 9816355
Properties
Computed structural propertiesFilling in
- XLogP
- 0.9
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 373
Related reactions
1 records
Compound notes
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