Basic information
- CAS
100983-92-4- Standard SMILES
O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)CCO)c1- InChIKey
NIBRDOKDTKLINO-UHFFFAOYSA-N- Molecular formula
- C8H8ClNO5S
- Average molar mass
- 265.67 g/mol
- Monoisotopic mass
- 264.98117104
Names & identifiers
- Preferred name
- 2-Chloro-5-nitrophenyl hydroxyethyl sulfone
- IUPAC
- 2-(2-chloro-5-nitrophenyl)sulfonylethanol
Names & synonyms
2-chloro-5-nitrophenyl hydroxyethyl sulfone100983-92-4SCHEMBL9173769NIBRDOKDTKLINO-UHFFFAOYSA-NDTXSID3012637612-chloro-5-nitrophenyl hydroxyethyl sulphone2-[(2-Chloro-5-nitrophenyl)sulfonyl]ethanol2-(beta-hydroxyethylsulfonyl)-4-nitrochlorobenzene2-(2-Chloro-5-nitrobenzene-1-sulfonyl)ethan-1-ol
Database identifiers
- CAS
100983-92-4- PubChem CID
- 13628643
- DTXSID
DTXSID301263761
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 346
Related reactions
12 records
Compound notes
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