2-Ethyl-5-(trifluoromethyl)benzoxazole - CAS 1267428-36-3
Catalog: |
BB006651 |
Product Name: |
2-Ethyl-5-(trifluoromethyl)benzoxazole |
CAS: |
1267428-36-3 |
Synonyms: |
2-ethyl-5-(trifluoromethyl)-1,3-benzoxazole; 2-ethyl-5-(trifluoromethyl)-1,3-benzoxazole |
IUPAC Name: | 2-ethyl-5-(trifluoromethyl)-1,3-benzoxazole |
Description: | 2-Ethyl-5-(trifluoromethyl)benzoxazole (CAS# 1267428-36-3 ) is a useful research chemical. |
Molecular Weight: | 215.17 |
Molecular Formula: | C10H8F3NO |
Canonical SMILES: | CCC1=NC2=C(O1)C=CC(=C2)C(F)(F)F |
InChI: | InChI=1S/C10H8F3NO/c1-2-9-14-7-5-6(10(11,12)13)3-4-8(7)15-9/h3-5H,2H2,1H3 |
InChI Key: | PCXBHVROVGWKFS-UHFFFAOYSA-N |
LogP: | 3.40900 |
Publication Number | Title | Priority Date |
WO-2014145116-A2 | Alkyl-heteroaryl substituted quinone derivatives for treatment of oxidative stress disorders | 20130315 |
US-2010240638-A1 | Organic Compounds and their uses | 20070220 |
US-2010204159-A1 | Organic compounds and their uses | 20060913 |
US-2007265281-A1 | Organic Compounds and Their Uses | 20060411 |
US-2007286842-A1 | Organic Compounds and Their Uses | 20060411 |
Complexity: | 231 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 215.05579836 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 215.05579836 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 26 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.5 |
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