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Home > Fluorides > 124292-93-9
124292-93-9 | 5(2H)-Oxazolone, 4-(1-methylethoxy)-2-phenyl-2-(trifluoromethyl)-
CAS No: 124292-93-9 Catalog No: AG000LSY MDL No:
Product Description
Catalog Number:
AG000LSY
Chemical Name:
5(2H)-Oxazolone, 4-(1-methylethoxy)-2-phenyl-2-(trifluoromethyl)-
CAS Number:
124292-93-9
Molecular Formula:
C13H12F3NO3
Molecular Weight:
287.2345
IUPAC Name:
2-phenyl-4-propan-2-yloxy-2-(trifluoromethyl)-1,3-oxazol-5-one
InChI:
InChI=1S/C13H12F3NO3/c1-8(2)19-10-11(18)20-12(17-10,13(14,15)16)9-6-4-3-5-7-9/h3-8H,1-2H3
InChI Key:
GJXYQMUXQKNFFK-UHFFFAOYSA-N
SMILES:
CC(OC1=NC(OC1=O)(c1ccccc1)C(F)(F)F)C
Properties
Complexity:
414
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.077g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
287.238g/mol
Monoisotopic Mass:
287.077g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
47.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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