Basic information
- CAS
33866-07-8- Standard SMILES
Cc1cc(C)c(S(=O)(=O)F)cc1C(=O)O- InChIKey
IOCQBSNJNVCVCU-UHFFFAOYSA-N- Molecular formula
- C9H9FO4S
- Average molar mass
- 232.23 g/mol
- Monoisotopic mass
- 232.0205581
Names & identifiers
- Preferred name
- 5-(Fluorosulfonyl)-2,4-dimethylbenzoic acid
- IUPAC
- 5-fluorosulfonyl-2,4-dimethylbenzoic acid
Names & synonyms
33866-07-85-(Fluorosulfonyl)-2,4-dimethylbenzoic acidNSC210244DTXSID50308841NSC-2102445-(Fluorosulfonyl)-2,4-dimethylbenzoicacid5-fluorosulfonyl-2,4-dimethyl-benzoic acidDS-005706EN300-224273
Database identifiers
- CAS
33866-07-8- PubChem CID
- 308445
- DTXSID
DTXSID50308841
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 79.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 346
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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