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Structure

2-(2-Hydroxyphenyl)benzoxazole

CAS
835-64-3
Catalog Number
ACM835643
Category
Other Products
Molecular Weight
211.22g/mol
Molecular Formula
C13H9NO2;

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Specification

Synonyms
AKOS000669321; 2,4-Cyclohexadien-1-one, 6-(2(3H)-benzoxazolylidene)-; ZX-AN012891; C-30393; STK731652; AC1OA24S; 64758-55-0; NSC 5423; NSC403545; 2-(2'-hydroxyphenyl)benzoxazole;
IUPAC Name
2-(1,3-benzoxazol-2-yl)phenol;
Canonical SMILES
C1=CC=C(C(=C1)C2=NC3=CC=CC=C3O2)O;
InChI
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;
InChI Key
GHGZVWOTJDLREY-UHFFFAOYSA-N;
Melting Point
123.5°C;
Complexity
246
Covalently-Bonded Unit Count
1
EC Number
212-642-0
Exact Mass
211.063g/mol
H-Bond Acceptor
3
H-Bond Donor
1
Heavy Atom Count
16
Monoisotopic Mass
211.063g/mol
NSC Number
403545
Rotatable Bond Count
1
Topological Polar Surface Area
46.3A^2

Upstream Synthesis Route 1

  • 1761-56-4
  • 835-64-3

Reference: [1]Patent: CN105524011,2016,A .Location in patent: Paragraph 0024; 0031; 0032; 0036; 0037; 0038; 0039; 0040-42

Upstream Synthesis Route 2

  • 90-02-8
  • 95-55-6
  • 835-64-3

Reference: [1]Journal of Heterocyclic Chemistry,2020

Upstream Synthesis Route 3

  • 95-55-6
  • 69-72-7
  • 835-64-3

Reference: [1]Organic and Biomolecular Chemistry,2014,vol. 12,p. 5250 - 5259

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