Basic information
- CAS
38556-43-3- Standard SMILES
CN(C)C(=O)c1ccccc1OS(=O)(=O)c1ccc(COc2ccc([N+](=O)[O-])cc2Cl)cc1- InChIKey
NOBUOWMZXISESD-UHFFFAOYSA-N- Molecular formula
- C22H19ClN2O7S
- Average molar mass
- 490.9 g/mol
- Monoisotopic mass
- 490.0601498
Names & identifiers
- Preferred name
- 2-(Dimethylcarbamoyl)phenyl 4-[(2-chloro-4-nitrophenoxy)methyl]benzene-1-sulfonate
- IUPAC
- [2-(dimethylcarbamoyl)phenyl] 4-[(2-chloro-4-nitrophenoxy)methyl]benzenesulfonate
Names & synonyms
38556-43-3NSC212098DTXSID50309479NSC-2120982-(Dimethylcarbamoyl)phenyl 4-[(2-chloro-4-nitrophenoxy)methyl]benzene-1-sulfonate
Database identifiers
- CAS
38556-43-3- PubChem CID
- 309705
- DTXSID
DTXSID50309479
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 127 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 775
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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