Basic information
- CAS
13493-49-7- Standard SMILES
O=Cc1cccc(OS(=O)(=O)c2ccccc2)c1- InChIKey
NACJAMSPPRWASP-UHFFFAOYSA-N- Molecular formula
- C13H10O4S
- Average molar mass
- 262.28 g/mol
- Monoisotopic mass
- 262.02997997
Names & identifiers
- Preferred name
- 3-Formylphenyl benzenesulfonate
- IUPAC
- (3-formylphenyl) benzenesulfonate
Names & synonyms
3-formylphenyl benzenesulfonate13493-49-7(3-formylphenyl) benzenesulfonate3-formylphenyl 1-benzenesulfonateDTXSID3012948433-[(Phenylsulfonyl)oxy]benzaldehydeBBL024855MFCD07432501STL296392AKOS000295098VS-07914
Database identifiers
- CAS
13493-49-7- PubChem CID
- 4770107
- DTXSID
DTXSID301294843
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 68.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 365
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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