Basic information
- Standard SMILES
O=C(O)c1ccc(Br)cc1N1CCCS1(=O)=O- InChIKey
MYHAJVZFGVVDMH-UHFFFAOYSA-N- Molecular formula
- C10H10BrNO4S
- Average molar mass
- 320.16 g/mol
Names & identifiers
- Preferred name
- 4-Bromo-2-(1,1-dioxoisothiazolidin-2-yl)benzoic acid
- IUPAC
- 4-bromo-2-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoic acid
Names & synonyms
SCHEMBL2366644MYHAJVZFGVVDMH-UHFFFAOYSA-NAKOS0059333144-bromo-2-(1,1-dioxoisothiazolidin-2-yl)benzoic acid
Database identifiers
- PubChem CID
- 54933008
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 83.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 405
Related reactions
8 records
Compound notes
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