Basic information
- CAS
59457-58-8- Standard SMILES
COc1ccc(C2(S(=O)(=O)O)C=Nc3ccccc3N2)cc1- InChIKey
YUHDHPWCVCDFAX-UHFFFAOYSA-N- Molecular formula
- C15H14N2O4S
- Average molar mass
- 318.3 g/mol
- Monoisotopic mass
- 318.06742811
Names & identifiers
- Preferred name
- 2-(4-Methoxyphenyl)-1,2-dihydroquinoxaline-2-sulfonic acid
- IUPAC
- 2-(4-methoxyphenyl)-1H-quinoxaline-2-sulfonic acid
Names & synonyms
59457-58-8DTXSID607871482-(4-Methoxyphenyl)-1,2-dihydroquinoxaline-2-sulfonic acid
Database identifiers
- CAS
59457-58-8- PubChem CID
- 71363633
- DTXSID
DTXSID60787148
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 96.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 522
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…