2-(1,3-Benzoxazol-2-yl)phenol

Catalog Number	ACM835643-1
CAS	835-64-3
Structure
Synonyms	2-(o-Hydroxyphenyl)benzoxazole; Phenol, 2-(2-benzoxazolyl)-
IUPAC Name	2-(1,3-benzoxazol-2-yl)phenol
Molecular Weight	211.22
Molecular Formula	C13H9NO2
Canonical SMILES	C1=CC=C(C(=C1)C2=NC3=CC=CC=C3O2)O
InChI	GHGZVWOTJDLREY-UHFFFAOYSA-N
InChI Key	InChI=1S/C13H9NO2/c15-11-7-3-1-5-9(11)13-14-10-6-2-4-8-12(10)16-13/h1-8,15H
Boiling Point	338 °C-lit.
Melting Point	122-124 °C-lit.
Appearance	Solid
EC Number	212-642-0
Exact Mass	211.063328530
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Monoisotopic Mass	211.063328530
Rotatable Bond Count	1
Topological Polar Surface Area	46.3 Ų