Basic information
- CAS
113675-69-7- Standard SMILES
O=c1c2ccccc2nnn1CCOS(=O)(=O)c1ccccc1- InChIKey
ZCLGVOHWIWDPBI-UHFFFAOYSA-N- Molecular formula
- C15H13N3O4S
- Average molar mass
- 331.3 g/mol
- Monoisotopic mass
- 331.06267708
Names & identifiers
- Preferred name
- 2-(4-Oxo-1,2,3-benzotriazin-3(4H)-yl)ethyl benzenesulfonate
- IUPAC
- 2-(4-oxo-1,2,3-benzotriazin-3-yl)ethyl benzenesulfonate
Names & synonyms
DTXSID2011812272-(4-Oxo-1,2,3-benzotriazin-3(4H)-yl)ethyl benzenesulfonate3-[2-[(Phenylsulfonyl)oxy]ethyl]-1,2,3-benzotriazin-4(3H)-one113675-69-7
Database identifiers
- CAS
113675-69-7- PubChem CID
- 85546773
- DTXSID
DTXSID201181227
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 96.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 552
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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