Basic information
- CAS
77408-68-5- Standard SMILES
CC(=O)Nc1ccc(S(=O)(=O)Oc2noc3ccc(Cl)cc23)cc1- InChIKey
RNBIGNYFCNCQBF-UHFFFAOYSA-N- Molecular formula
- C15H11ClN2O5S
- Average molar mass
- 366.8 g/mol
- Monoisotopic mass
- 366.0077203
Names & identifiers
- Preferred name
- AG-H-09671
- IUPAC
- (5-chloro-1,2-benzoxazol-3-yl) 4-acetamidobenzenesulfonate
Names & synonyms
77408-68-5DTXSID60320155AG-H-09671RefChem:317467DTXCID00271278NSC355391NSC-3553915-Chloro-1,2-benzoxazol-3-yl 4-acetamidobenzene-1-sulfonate
Database identifiers
- CAS
77408-68-5- PubChem CID
- 337455
- DTXSID
DTXSID60320155
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 559
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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