2-(2-Hydroxyphenyl)benzoxazole - CAS 835-64-3
Catalog: |
BB037056 |
Product Name: |
2-(2-Hydroxyphenyl)benzoxazole |
CAS: |
835-64-3 |
Synonyms: |
2-(1,3-benzoxazol-2-yl)phenol |
IUPAC Name: | 2-(1,3-benzoxazol-2-yl)phenol |
Description: | 2-(2-Hydroxyphenyl)benzoxazole (CAS# 835-64-3) is a useful research chemical. |
Molecular Weight: | 211.22 |
Molecular Formula: | C13H9NO2 |
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 |
Boiling Point: | 338 °C (lit.) |
Density: | 1.294 g/cm3 |
Appearance: | Light orange powder |
MDL: | MFCD00005767 |
LogP: | 3.20040 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
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PMID | Publication Date | Title | Journal |
22607044 | 20120531 | Application of a fluorescent C-linked phenolic purine adduct for selective N7-metalation of DNA | The journal of physical chemistry. B |
22267206 | 20120227 | Revealing the ionization ability of binding site I of human serum albumin using 2-(2'-hydroxyphenyl)benzoxazole as a pH sensitive probe | Physical chemistry chemical physics : PCCP |
22103625 | 20120106 | Rotational energy barrier of 2-(2',6'-dihydroxyphenyl)benzoxazole: a case study by NMR | The Journal of organic chemistry |
22176588 | 20120106 | Synthesis of luminescent 2-(2'-hydroxyphenyl)benzoxazole (HBO) borate complexes | Organic letters |
22219902 | 20111101 | 2-(2-Hy-droxy-phen-yl)-1,3-benzothia-zole-6-carbaldehyde | Acta crystallographica. Section E, Structure reports online |
Complexity: | 246 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 211.063328530 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 211.063328530 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 46.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.1 |
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Oxazole/Thiazole
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