2-Amino-4-((trifluoromethyl)sulfinyl)phenol
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Basic information
- CAS
1616682-59-7- Standard SMILES
Nc1cc(S(=O)C(F)(F)F)ccc1O- InChIKey
CVQLGCQIFRWVQM-UHFFFAOYSA-N- Molecular formula
- C7H6F3NO2S
- Average molar mass
- 225.19 g/mol
Names & identifiers
- Preferred name
- 2-Amino-4-((trifluoromethyl)sulfinyl)phenol
- IUPAC
- 2-amino-4-(trifluoromethylsulfinyl)phenol
- English name
- 2-Amino-4-trifluoromethanesulfinyl-phenol
- Molecular formula
- C7H6F3NO2S
- Molecular weight
- 225.19
Names & synonyms
2-Amino-4-((trifluoromethyl)sulfinyl)phenol1616682-59-72-amino-4-trifluoromethanesulfinylphenolSCHEMBL158477562-amino-4-(trifluoromethylsulfinyl)phenolCS-00892942-Amino-4-trifluoromethanesulfinyl-phenol2-amino-4-[(trifluoromethyl)sulfinyl]-PhenolPhenol, 2-amino-4-[(trifluoromethyl)sulfinyl]-
Database identifiers
- CAS
1616682-59-7
Properties
Computed structural propertiesFilling in
- XLogP
- 1.4
- Topological polar surface area
- 82.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 233
Physicochemical properties
- Boiling point
- 336.3 · 336.3±42.0 °C(Predicted)
- Density
- 1.68 · 1.68±0.1 g/cm3(Predicted)
- pka
- 7.53 · 7.53±0.18(Predicted)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
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Compound notes
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