3-Pyridinesulfonic acid, 6-(3,4-dichlorophenoxy)-
Basic information
- CAS
99902-98-4- Standard SMILES
O=S(=O)(O)c1ccc(Oc2ccc(Cl)c(Cl)c2)nc1- InChIKey
LZMFWYIRBNUPOE-UHFFFAOYSA-N- Molecular formula
- C11H7Cl2NO4S
- Average molar mass
- 320.1 g/mol
- Monoisotopic mass
- 318.9472843
Names & identifiers
- Preferred name
- 3-Pyridinesulfonic acid, 6-(3,4-dichlorophenoxy)-
- IUPAC
- 6-(3,4-dichlorophenoxy)pyridine-3-sulfonic acid
Names & synonyms
99902-98-46-(3,4-dichlorophenoxy)pyridine-3-sulfonic acid3-Pyridinesulfonic acid, 6-(3,4-dichlorophenoxy)-CHEMBL137414DTXSID40244340
Database identifiers
- CAS
99902-98-4- PubChem CID
- 514893
- DTXSID
DTXSID40244340- ChEMBL
CHEMBL137414
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 84.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 400
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Compound notes
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