3-(4-Aminobenzene-1-sulfonyl)-6-bromo-1,3-benzoxazol-2(3H)-one
Basic information
- CAS
77408-61-8- Standard SMILES
Nc1ccc(S(=O)(=O)n2c(=O)oc3cc(Br)ccc32)cc1- InChIKey
BNWVPHDUCZAWMJ-UHFFFAOYSA-N- Molecular formula
- C13H9BrN2O4S
- Average molar mass
- 369.19 g/mol
- Monoisotopic mass
- 367.94664
Names & identifiers
- Preferred name
- 3-(4-Aminobenzene-1-sulfonyl)-6-bromo-1,3-benzoxazol-2(3H)-one
- IUPAC
- 3-(4-aminophenyl)sulfonyl-6-bromo-1,3-benzoxazol-2-one
Names & synonyms
77408-61-8NSC355389DTXSID403201533-(4-Aminobenzene-1-sulfonyl)-6-bromo-1,3-benzoxazol-2(3H)-oneNSC-355389
Database identifiers
- CAS
77408-61-8- PubChem CID
- 337453
- DTXSID
DTXSID40320153
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 98.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 513
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