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Home > Fluorides > 114490-65-2
114490-65-2 | 5(4H)-Oxazolone, 2-phenyl-4-(2-propen-1-yl)-4-(trifluoromethyl)-
CAS No: 114490-65-2 Catalog No: AG000EJH MDL No:
Product Description
Catalog Number:
AG000EJH
Chemical Name:
5(4H)-Oxazolone, 2-phenyl-4-(2-propen-1-yl)-4-(trifluoromethyl)-
CAS Number:
114490-65-2
Molecular Formula:
C13H10F3NO2
Molecular Weight:
269.2192
IUPAC Name:
2-phenyl-4-prop-2-enyl-4-(trifluoromethyl)-1,3-oxazol-5-one
InChI:
InChI=1S/C13H10F3NO2/c1-2-8-12(13(14,15)16)11(18)19-10(17-12)9-6-4-3-5-7-9/h2-7H,1,8H2
InChI Key:
OLLNMWAZLRCJGB-UHFFFAOYSA-N
SMILES:
C=CCC1(N=C(OC1=O)c1ccccc1)C(F)(F)F
Properties
Complexity:
411
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.066g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
269.223g/mol
Monoisotopic Mass:
269.066g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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