Basic information
- CAS
98214-86-9- Standard SMILES
O=C1c2cccc(S(=O)(=O)O)c2C(=O)N1Cc1ccccc1- InChIKey
LTLKSCFODNOPQK-UHFFFAOYSA-N- Molecular formula
- C15H11NO5S
- Average molar mass
- 317.3 g/mol
- Monoisotopic mass
- 317.03579362
Names & identifiers
- Preferred name
- 2-Benzyl-1,3-dioxo-2,3-dihydro-1H-isoindole-4-sulfonic acid
- IUPAC
- 2-benzyl-1,3-dioxoisoindole-4-sulfonic acid
Names & synonyms
98214-86-9DTXSID107604462-Benzyl-1,3-dioxo-2,3-dihydro-1H-isoindole-4-sulfonic acid
Database identifiers
- CAS
98214-86-9- PubChem CID
- 71331925
- DTXSID
DTXSID10760446
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 561
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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