1,2-Benzenediol, 3,5-bis((trifluoromethyl)sulfonyl)-
Basic information
- CAS
125629-20-1- Standard SMILES
O=S(=O)(c1cc(O)c(O)c(S(=O)(=O)C(F)(F)F)c1)C(F)(F)F- InChIKey
LLVHQTRLLOAMAQ-UHFFFAOYSA-N- Molecular formula
- C8H4F6O6S2
- Average molar mass
- 374.2 g/mol
- Monoisotopic mass
- 373.93534916
Names & identifiers
- Preferred name
- 1,2-Benzenediol, 3,5-bis((trifluoromethyl)sulfonyl)-
- IUPAC
- 3,5-bis(trifluoromethylsulfonyl)benzene-1,2-diol
Names & synonyms
125629-20-13,5-Bis((trifluoromethyl)sulfonyl)-1,2-benzenediol1,2-Benzenediol, 3,5-bis((trifluoromethyl)sulfonyl)-DTXSID90154824RefChem:215493DTXCID90773153,5-Bis(trifluoromethanesulfonyl)benzene-1,2-diol
Database identifiers
- CAS
125629-20-1- PubChem CID
- 3079413
- DTXSID
DTXSID90154824
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 126 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 609
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Compound notes
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