Basic information
- CAS
77408-57-2- Standard SMILES
Nc1ccc(S(=O)(=O)n2c(=O)oc3cc(Cl)ccc32)cc1- InChIKey
QZSXTIVBEPESMV-UHFFFAOYSA-N- Molecular formula
- C13H9ClN2O4S
- Average molar mass
- 324.74 g/mol
- Monoisotopic mass
- 323.9971556
Names & identifiers
- Preferred name
- 3-(4-Aminophenyl)sulfonyl-6-chloro-1,3-benzoxazol-2-one
- IUPAC
- 3-(4-aminophenyl)sulfonyl-6-chloro-1,3-benzoxazol-2-one
Names & synonyms
77408-57-23-(4-aminophenyl)sulfonyl-6-chloro-1,3-benzoxazol-2-oneNSC355385DTXSID50320149NSC-3553853-(4-Aminobenzene-1-sulfonyl)-6-chloro-1,3-benzoxazol-2(3H)-one
Database identifiers
- CAS
77408-57-2- PubChem CID
- 337449
- DTXSID
DTXSID50320149
Properties
Computed structural properties
- XLogP
- 2.4
- 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
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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