Basic information
- Standard SMILES
O=C(O)c1ccc(N2CCCCS2(=O)=O)c(Cl)c1- InChIKey
GFWKMESAZAQDLB-UHFFFAOYSA-N- Molecular formula
- C11H12ClNO4S
- Average molar mass
- 289.74 g/mol
Names & identifiers
- Preferred name
- 3-Chloro-4-(1,1-dioxo-[1,2]thiazinan-2-yl)-benzoic acid
- IUPAC
- 3-chloro-4-(1,1-dioxothiazinan-2-yl)benzoic acid
Names & synonyms
SCHEMBL2333217GFWKMESAZAQDLB-UHFFFAOYSA-N3-chloro-4-(1,1-dioxo-[1,2]thiazinan-2-yl)-benzoic acid
Database identifiers
- PubChem CID
- 67367255
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 83.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 419
Related reactions
5 records
Compound notes
Loading…