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Home > Fluorides > 1192019-22-9
1192019-22-9 | Benzoxazole, 2-(3-ethyl-4-pyridinyl)-5-(trifluoromethyl)-
CAS No: 1192019-22-9 Catalog No: AG000ID3 MDL No:
Product Description
Catalog Number:
AG000ID3
Chemical Name:
Benzoxazole, 2-(3-ethyl-4-pyridinyl)-5-(trifluoromethyl)-
CAS Number:
1192019-22-9
Molecular Formula:
C15H11F3N2O
Molecular Weight:
292.2558
IUPAC Name:
2-(3-ethylpyridin-4-yl)-5-(trifluoromethyl)-1,3-benzoxazole
InChI:
InChI=1S/C15H11F3N2O/c1-2-9-8-19-6-5-11(9)14-20-12-7-10(15(16,17)18)3-4-13(12)21-14/h3-8H,2H2,1H3
InChI Key:
XKAOTXBCCOGKGA-UHFFFAOYSA-N
SMILES:
CCc1cnccc1c1nc2c(o1)ccc(c2)C(F)(F)F
Properties
Complexity:
363
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
292.082g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
292.261g/mol
Monoisotopic Mass:
292.082g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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