2,4-Difluoro-5-nitrobenzene sulfonic acid
Basic information
- CAS
131574-34-0- Standard SMILES
O=[N+]([O-])c1cc(S(=O)(=O)O)c(F)cc1F- InChIKey
IFRMIWUTVLODTM-UHFFFAOYSA-N- Molecular formula
- C6H3F2NO5S
- Average molar mass
- 239.16 g/mol
- Monoisotopic mass
- 238.96999969
Overview
structure given in first source
Names & identifiers
- Preferred name
- 2,4-Difluoro-5-nitrobenzene sulfonic acid
- IUPAC
- 2,4-difluoro-5-nitrobenzenesulfonic acid
- English name
- 2,4-difluoro-5-nitrobenzene sulfonic acid
- Molecular formula
- C6H3F2NO5S
- Molecular weight
- 239.15
Names & synonyms
131574-34-02,4-Difluoro-5-nitrobenzene sulfonic acid2,4-DnsaDTXSID90157118RefChem:82416DTXCID80796092,4-Difluoro-5-nitrobenzenesulfonic acidSCHEMBL314132792,4-Difluoro-5-nitrobenzene-1-sulfonic acidBenzenesulfonic acid, 2,4-difluoro-5-nitro-
Database identifiers
- CAS
131574-34-0- PubChem CID
- 125488
- DTXSID
DTXSID90157118
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 348
Physicochemical properties
- Density
- 1.805 · 1.805±0.06 g/cm3(Predicted)
- pka
- -1.75 · -1.75±0.50(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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