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Home > Fluorides > 145439-14-1
145439-14-1 | 2(5H)-Furanone, 4-[3-(trifluoromethyl)phenyl]-
CAS No: 145439-14-1 Catalog No: AG001D17 MDL No:
Product Description
Catalog Number:
AG001D17
Chemical Name:
2(5H)-Furanone, 4-[3-(trifluoromethyl)phenyl]-
CAS Number:
145439-14-1
Molecular Formula:
C11H7F3O2
Molecular Weight:
228.1673
IUPAC Name:
3-[3-(trifluoromethyl)phenyl]-2H-furan-5-one
InChI:
InChI=1S/C11H7F3O2/c12-11(13,14)9-3-1-2-7(4-9)8-5-10(15)16-6-8/h1-5H,6H2
InChI Key:
CZONSUKZOKGQHN-UHFFFAOYSA-N
SMILES:
O=C1OCC(=C1)c1cccc(c1)C(F)(F)F
Properties
Complexity:
320
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.04g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
228.17g/mol
Monoisotopic Mass:
228.04g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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