Basic information
- CAS
38556-32-0- Standard SMILES
O=[N+]([O-])c1ccc(OCc2ccc(S(=O)(=O)Oc3ccccc3F)cc2)c(Cl)c1- InChIKey
DWHJQQQZKAOAJK-UHFFFAOYSA-N- Molecular formula
- C19H13ClFNO6S
- Average molar mass
- 437.8 g/mol
- Monoisotopic mass
- 437.0136142
Names & identifiers
- Preferred name
- (2-Fluorophenyl) 4-[(2-chloro-4-nitrophenoxy)methyl]benzenesulfonate
- IUPAC
- (2-fluorophenyl) 4-[(2-chloro-4-nitrophenoxy)methyl]benzenesulfonate
Names & synonyms
38556-32-0NSC212094(2-fluorophenyl) 4-[(2-chloro-4-nitrophenoxy)methyl]benzenesulfonateDTXSID10309475NSC-2120942-Fluorophenyl 4-[(2-chloro-4-nitrophenoxy)methyl]benzene-1-sulfonate
Database identifiers
- CAS
38556-32-0- PubChem CID
- 309701
- DTXSID
DTXSID10309475
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 646
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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