Basic information
- CAS
5235-71-2- Standard SMILES
O=[N+]([O-])c1ccc(C=CS(=O)(=O)OCCCl)cc1- InChIKey
MMBOVRTWJOFSMN-UHFFFAOYSA-N- Molecular formula
- C10H10ClNO5S
- Average molar mass
- 291.71 g/mol
- Monoisotopic mass
- 290.9968213
Names & identifiers
- Preferred name
- 2-Chloroethyl 2-(4-nitrophenyl)ethene-1-sulfonate
- IUPAC
- 2-chloroethyl 2-(4-nitrophenyl)ethenesulfonate
Names & synonyms
5235-71-22-Chloroethyl 2-(4-nitrophenyl)ethene-1-sulfonateDTXSID00318596
Database identifiers
- CAS
5235-71-2- PubChem CID
- 333071
- DTXSID
DTXSID00318596
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 97.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 389
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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