Basic information
- CAS
90853-80-8- Standard SMILES
O=S1(=O)CCON=C1c1ccc(Cl)c(Cl)c1- InChIKey
PZPPQWUSTDLLAQ-UHFFFAOYSA-N- Molecular formula
- C9H7Cl2NO3S
- Average molar mass
- 280.13 g/mol
- Monoisotopic mass
- 278.9523696
Names & identifiers
- Preferred name
- 3-(3,4-Dichlorophenyl)-5,6-dihydro-4H-1,4lambda~6~,2-oxathiazine-4,4-dione
- IUPAC
- 3-(3,4-dichlorophenyl)-5,6-dihydro-1,4,2-oxathiazine 4,4-dioxide
Names & synonyms
90853-80-8SCHEMBL7590693DTXSID205442393-(3,4-Dichlorophenyl)-5,6-dihydro-4H-1,4lambda~6~,2-oxathiazine-4,4-dione
Database identifiers
- CAS
90853-80-8- PubChem CID
- 13577611
- DTXSID
DTXSID20544239
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 64.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 390
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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