2-Chloroethyl (4-nitrophenyl)methanesulfonate
Basic information
- CAS
85650-20-0- Standard SMILES
O=[N+]([O-])c1ccc(CS(=O)(=O)OCCCl)cc1- InChIKey
RMZMIJDYXUBEAE-UHFFFAOYSA-N- Molecular formula
- C9H10ClNO5S
- Average molar mass
- 279.7 g/mol
- Monoisotopic mass
- 278.9968213
Names & identifiers
- Preferred name
- 2-Chloroethyl (4-nitrophenyl)methanesulfonate
- IUPAC
- 2-chloroethyl (4-nitrophenyl)methanesulfonate
Names & synonyms
85650-20-02-chloroethyl (4-nitrophenyl)methanesulfonateNSC346883CHEMBL16924Benzenemethanesulfonic acid, 4-nitro-, 2-chloroethyl esterDTXSID80319546NSC-346883DS-006910
Database identifiers
- CAS
85650-20-0- PubChem CID
- 335789
- DTXSID
DTXSID80319546- ChEMBL
CHEMBL16924
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 97.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 339
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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