Basic information
- CAS
2437-84-5- Standard SMILES
O=S(=O)(Oc1ccccc1)c1ccc(Cl)c(Cl)c1- InChIKey
IZYLSSOJIOHVPH-UHFFFAOYSA-N- Molecular formula
- C12H8Cl2O3S
- Average molar mass
- 303.2 g/mol
- Monoisotopic mass
- 301.9571207
Names & identifiers
- Preferred name
- 3,4-Dichlorobenzenesulfonic acid, phenyl ester
- IUPAC
- phenyl 3,4-dichlorobenzenesulfonate
Names & synonyms
2437-84-5MLS0026375943,4-DICHLOROBENZENESULFONIC ACID, PHENYL ESTERNSC1844Phenyl 3,4-dichlorobenzene-1-sulfonate3, PHENYL ESTERCHEMBL1731221DTXSID70947231HMS3087G16NSC-1844AKOS008677805SMR001547123
Database identifiers
- CAS
2437-84-5- PubChem CID
- 219951
- DTXSID
DTXSID70947231- ChEMBL
CHEMBL1731221- Nikkaji
- J134.387D
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 51.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 360
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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