(4-Methylquinolin-2-yl) 4-methylbenzenesulfonate
Basic information
- CAS
5465-88-3- Standard SMILES
Cc1ccc(S(=O)(=O)Oc2cc(C)c3ccccc3n2)cc1- InChIKey
QJRNRLDBBWDXGJ-UHFFFAOYSA-N- Molecular formula
- C17H15NO3S
- Average molar mass
- 313.4 g/mol
- Monoisotopic mass
- 313.07726451
Names & identifiers
- Preferred name
- (4-Methylquinolin-2-yl) 4-methylbenzenesulfonate
- IUPAC
- (4-methylquinolin-2-yl) 4-methylbenzenesulfonate
Names & synonyms
5465-88-3(4-methylquinolin-2-yl) 4-methylbenzenesulfonateNSC25852DTXSID00282440NSC-258524-Methylquinolin-2-yl 4-methylbenzene-1-sulfonate
Database identifiers
- CAS
5465-88-3- PubChem CID
- 230712
- DTXSID
DTXSID00282440
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 64.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 465
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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