5-Chloro-2-formylbenzenesulphonic acid
Basic information
- CAS
88-33-5- Standard SMILES
O=Cc1ccc(Cl)cc1S(=O)(=O)O- InChIKey
GXRQQNQCMLEUAW-UHFFFAOYSA-N- Molecular formula
- C7H5ClO4S
- Average molar mass
- 220.63 g/mol
- Monoisotopic mass
- 219.9597075
Names & identifiers
- Preferred name
- 5-Chloro-2-formylbenzenesulphonic acid
- IUPAC
- 5-chloro-2-formylbenzenesulfonic acid
- English name
- 5-chloro-2-formylbenzenesulphonic acid
- Molecular formula
- C7H5ClO4S
- Molecular weight
- 220.63
Names & synonyms
5-chloro-2-formylbenzenesulfonic acid88-33-55-Chloro-2-formylbenzenesulphonic acidBenzenesulfonic acid,5-chloro-2-formyl-EINECS 201-821-95-chloro-2-formylbenzene-1-sulfonic acidBenzenesulfonic acid, 5-chloro-2-formyl-K89Z9LPN9FSCHEMBL8652118DTXSID60236747GXRQQNQCMLEUAW-UHFFFAOYSA-NDB-077248
Show more names
NS00039253
Database identifiers
- CAS
88-33-5- PubChem CID
- 66611
- DTXSID
DTXSID60236747- UNII
- K89Z9LPN9F
- EC Number
- 201-821-9
- Nikkaji
- J192.653E
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 79.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 281
Physicochemical properties
- FDA UNII
- 89 Z9LPN9F · K89Z9LPN9F
- Comptox DTXSID
- 60236747 · DTXSID60236747
- HS Code
- 2913000090 · 2913000090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2913000090
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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