90495-99-1 Purity
96%
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Specification
The molecular formula of the compound is C9H6BrNO2S.
The synonyms of the compound are 4-(5-BROMOTHIAZOL-2-YLOXY)PHENOL, 904961-21-3, 4-[(5-bromo-1,3-thiazol-2-yl)oxy]phenol, 4-((5-Bromothiazol-2-yl)oxy)phenol, PHENOL,4-[(5-BROMO-2-THIAZOLYL)OXY]-.
The molecular weight of the compound is 272.12 g/mol.
The IUPAC name of the compound is 4-[(5-bromo-1,3-thiazol-2-yl)oxy]phenol.
The InChI of the compound is InChI=1S/C9H6BrNO2S/c10-8-5-11-9(14-8)13-7-3-1-6(12)2-4-7/h1-5,12H.
The InChIKey of the compound is OETQLDVRDGHJRN-UHFFFAOYSA-N.
The canonical SMILES of the compound is C1=CC(=CC=C1O)OC2=NC=C(S2)Br.
The CAS number of the compound is 904961-21-3.
The XLogP3-AA value of the compound is 3.5.
Yes, the compound is canonicalized.