Basic information
- CAS
33719-28-7- Standard SMILES
Nc1ccc(S(=O)(=O)F)c(Cl)c1- InChIKey
LCJHOCQPXFYMHA-UHFFFAOYSA-N- Molecular formula
- C6H5ClFNO2S
- Average molar mass
- 209.63 g/mol
- Monoisotopic mass
- 208.9713554
Names & identifiers
- Preferred name
- 4-Amino-2-chlorobenzene-1-sulfonyl fluoride
- IUPAC
- 4-amino-2-chlorobenzenesulfonyl fluoride
Names & synonyms
4-Amino-2-chlorobenzene-1-sulfonyl fluoride5154-89-233719-28-74-amino-2-chloro-benzenesulfonyl fluorideNSC140591starbld0019150SCHEMBL31618992DTXSID70955331NSC-140591SB78640DS-014832EN300-1587260
Database identifiers
- CAS
33719-28-7- PubChem CID
- 284573
- DTXSID
DTXSID70955331
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 68.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 251
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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