2-(Acetylamino)phenyl 5-bromo-2-methoxybenzenesulfonate
Basic information
- CAS
6405-21-6- Standard SMILES
COc1ccc(Br)cc1S(=O)(=O)Oc1ccccc1NC(C)=O- InChIKey
MEPCGBKVXOTGKL-UHFFFAOYSA-N- Molecular formula
- C15H14BrNO5S
- Average molar mass
- 400.2 g/mol
- Monoisotopic mass
- 398.97761
Names & identifiers
- Preferred name
- 2-(Acetylamino)phenyl 5-bromo-2-methoxybenzenesulfonate
- IUPAC
- (2-acetamidophenyl) 5-bromo-2-methoxybenzenesulfonate
Names & synonyms
2-(acetylamino)phenyl 5-bromo-2-methoxybenzenesulfonate6405-21-6ST50254021428459-52-3(2-acetamidophenyl) 5-bromo-2-methoxybenzenesulfonateDTXSID40367664STK353944AKOS000597431AB00107124-01AP-263/14196372BRD-K69791365-001-01-4Z45526166
Show more names
2-acetamidophenyl 5-bromo-2-methoxybenzene-1-sulfonate
Database identifiers
- CAS
6405-21-6- PubChem CID
- 2280701
- DTXSID
DTXSID40367664
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 90.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 506
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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