1,3-Benzenediol,5-[5-(trifluoromethyl)-2-benzothiazolyl]-

HCID 60194580
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Basic information

Standard SMILES
Oc1cc(O)cc(-c2nc3cc(C(F)(F)F)ccc3s2)c1
InChIKey
XKKCLLXVLAWECO-UHFFFAOYSA-N
Molecular formula
C14H8F3NO2S
Average molar mass
311.28 g/mol

Names & identifiers

Preferred name
1,3-Benzenediol,5-[5-(trifluoromethyl)-2-benzothiazolyl]-
IUPAC
5-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]benzene-1,3-diol

Names & synonyms

1,3-Benzenediol,5-[5-(trifluoromethyl)-2-benzothiazolyl]-SCHEMBL124709145-(5-(trifluoromethyl)benzo[d]thiazol-2-yl)benzene-1,3-diol

Database identifiers

PubChem CID
60194580

Properties

Computed structural properties

XLogP
4.4
Topological polar surface area
81.6 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
7
Rotatable bonds
1
Heavy atoms
21

Related reactions

2 records
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Compound notes

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