Propanoic acid, 2-(4-((7-chloro-2-quinoxalinyl)oxy)phenoxy)-, sodium salt (1:1), (2S)-
Basic information
- CAS
157542-90-0- Standard SMILES
C[C@H](Oc1ccc(Oc2cnc3ccc(Cl)cc3n2)cc1)C(=O)[O-].[Na+]- InChIKey
OJENKXNXJPNEPU-PPHPATTJSA-M- Molecular formula
- C17H12ClN2NaO4
- Average molar mass
- 366.7 g/mol
- Monoisotopic mass
- 366.0383288
Names & identifiers
- Preferred name
- Propanoic acid, 2-(4-((7-chloro-2-quinoxalinyl)oxy)phenoxy)-, sodium salt (1:1), (2S)-
- IUPAC
- sodium (2S)-2-[4-(7-chloroquinoxalin-2-yl)oxyphenoxy]propanoate
Names & synonyms
S-(-)-XK-469XK-469, (S)-I5JER5221LPropanoic acid, 2-(4-((7-chloro-2-quinoxalinyl)oxy)phenoxy)-, sodium salt (1:1), (2S)-157542-90-0UNII-I5JER5221LLopac-X-3628CHEMBL1592257(S)-xk-469NCGC00016100-01Q27280471
Database identifiers
- CAS
157542-90-0- PubChem CID
- 6604050
- ChEMBL
CHEMBL1592257- UNII
- I5JER5221L
- Nikkaji
- J1.236.149A
Properties
Computed structural properties
- Topological polar surface area
- 84.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 437
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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