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Home > Fluorides > 847560-97-8
847560-97-8 | 2,5-Pyrrolidinedione, 3-(acetyloxy)-1-[2-(trifluoromethyl)phenyl]-
CAS No: 847560-97-8 Catalog No: AG004YAE MDL No:
Product Description
Catalog Number:
AG004YAE
Chemical Name:
2,5-Pyrrolidinedione, 3-(acetyloxy)-1-[2-(trifluoromethyl)phenyl]-
CAS Number:
847560-97-8
Molecular Formula:
C13H10F3NO4
Molecular Weight:
301.2180
IUPAC Name:
[2,5-dioxo-1-[2-(trifluoromethyl)phenyl]pyrrolidin-3-yl] acetate
InChI:
InChI=1S/C13H10F3NO4/c1-7(18)21-10-6-11(19)17(12(10)20)9-5-3-2-4-8(9)13(14,15)16/h2-5,10H,6H2,1H3
InChI Key:
IXIHGOUPZDLDHW-UHFFFAOYSA-N
SMILES:
CC(=O)OC1CC(=O)N(C1=O)c1ccccc1C(F)(F)F
Properties
Complexity:
463
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.056g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
301.221g/mol
Monoisotopic Mass:
301.056g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
63.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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