5-(Trifluoromethyl)benzoxazol-2(3H)-one - CAS 14733-68-7
Catalog: |
BB010183 |
Product Name: |
5-(Trifluoromethyl)benzoxazol-2(3H)-one |
CAS: |
14733-68-7 |
Synonyms: |
5-(trifluoromethyl)-3H-1,3-benzoxazol-2-one; 5-(trifluoromethyl)-3H-1,3-benzoxazol-2-one |
IUPAC Name: | 5-(trifluoromethyl)-3H-1,3-benzoxazol-2-one |
Description: | 5-(Trifluoromethyl)benzoxazol-2(3H)-one (CAS# 14733-68-7 ) is a useful research chemical. |
Molecular Weight: | 203.12 |
Molecular Formula: | C8H4F3NO2 |
Canonical SMILES: | C1=CC2=C(C=C1C(F)(F)F)NC(=O)O2 |
InChI: | InChI=1S/C8H4F3NO2/c9-8(10,11)4-1-2-6-5(3-4)12-7(13)14-6/h1-3H,(H,12,13) |
InChI Key: | DNBWZEBCBIKPNJ-UHFFFAOYSA-N |
Density: | 1.497 g/cm3 |
LogP: | 2.55220 |
Publication Number | Title | Priority Date |
JP-2017001991-A | New benzoxazolone compounds | 20150611 |
US-10226452-B2 | Benzoxazolone derivatives as acid ceramidase inhibitors, and their use as medicaments | 20140512 |
US-2017182010-A1 | Benzoxazolone derivatives as acid ceramidase inhibitors, and their use as medicaments | 20140512 |
WO-2015173168-A1 | Benzoxazolone derivatives as acid ceramidase inhibitors, and their use as medicaments | 20140512 |
AU-2014254768-A1 | Heterocyclic acetic acid amide compound | 20130418 |
Complexity: | 254 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 203.01941286 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 203.01941286 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 38.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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Related Functional Groups
Benzoxazole/Benzothiazole
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