Basic information
- CAS
98358-91-9- Standard SMILES
O=S(=O)(Oc1ccccc1)c1ccc(F)c2nonc12- InChIKey
GJKPRTNBOFMOHX-UHFFFAOYSA-N- Molecular formula
- C12H7FN2O4S
- Average molar mass
- 294.26 g/mol
- Monoisotopic mass
- 294.01105592
Names & identifiers
- Preferred name
- 7-Fluoro-4-phenoxysulfonyl-2,1,3-benzoxadiazole
- IUPAC
- phenyl 7-fluoro-2,1,3-benzoxadiazole-4-sulfonate
Names & synonyms
7-fluoro-4-phenoxysulfonyl-2,1,3-benzoxadiazoleSCHEMBL10693745GJKPRTNBOFMOHX-UHFFFAOYSA-NDTXSID90123779498358-91-9phenyl 7-fluoro-2,1,3-benzoxadiazole-4-sulfonate
Database identifiers
- CAS
98358-91-9- PubChem CID
- 21293920
- DTXSID
DTXSID901237794
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 90.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 435
Related reactions
1 records
Compound notes
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