4-Fluoro-3-nitrobenzenesulfonic acid
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Basic information
- CAS
3888-84-4- Standard SMILES
O=[N+]([O-])c1cc(S(=O)(=O)O)ccc1F- InChIKey
OOJWQLSHYOELSK-UHFFFAOYSA-N- Molecular formula
- C6H4FNO5S
- Average molar mass
- 221.17 g/mol
- Monoisotopic mass
- 220.97942156
Names & identifiers
- Preferred name
- 4-Fluoro-3-nitrobenzenesulfonic acid
- IUPAC
- 4-fluoro-3-nitrobenzenesulfonic acid
- English name
- 4-fluoro-3-nitrobenzenesulphonic acid
- Molecular formula
- C6H4FNO5S
- Molecular weight
- 221.16
Names & synonyms
4-fluoro-3-nitrobenzenesulfonic acid3888-84-44-Fluoro-3-nitrobenzenesulphonic acidC6H4FNO5SMFCD097433974-Fluoro-3-nitrobenzene-1-sulfonic acidBenzenesulfonic acid, 4-fluoro-3-nitro-EINECS 223-432-3TAF68U2R8RSCHEMBL1491246DTXSID909596544-fluoro-3-nitrobenzenesulfonicacid
Show more names
4-fluoro-3-nitro-benzenesulfonic acid4-fluoro-3-nitrobenzene sulfonic acidAKOS005258069AS-82830NS000468284-Fluoro-3-nitrobenzenesulfonic acid_x000D_I11709AmbitBU164, MolPort-002-344-410, CID77498, NSC18281, EINECS 223-432-3, 4-Fluoro-3-nitrobenzenesulphonic acid, 3888-84-4
Database identifiers
- CAS
3888-84-4- PubChem CID
- 77498
- DTXSID
DTXSID90959654- UNII
- TAF68U2R8R
- EC Number
- 223-432-3
- Nikkaji
- J217.738B
Properties
Computed structural propertiesFilling in
- XLogP
- 0.6
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 318
Physicochemical properties
- Density
- 1.724 · 1.724±0.06 g/cm3(Predicted)
- pka
- -1.27 · -1.27±0.50(Predicted)
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Related reactions
3 records
Compound notes
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