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1263365-50-9

1263365-50-9 | 2-(1,3-Dioxolan-2-yl)-1-(3,4,5-trifluoro-phenyl)-ethanone

CAS No: 1263365-50-9 Catalog No: AG01F784 MDL No:

Product Description

Catalog Number:
AG01F784
Chemical Name:
2-(1,3-Dioxolan-2-yl)-1-(3,4,5-trifluoro-phenyl)-ethanone
CAS Number:
1263365-50-9
Molecular Formula:
C11H9F3O3
Molecular Weight:
246.1826
IUPAC Name:
2-(1,3-dioxolan-2-yl)-1-(3,4,5-trifluorophenyl)ethanone
InChI:
InChI=1S/C11H9F3O3/c12-7-3-6(4-8(13)11(7)14)9(15)5-10-16-1-2-17-10/h3-4,10H,1-2,5H2
InChI Key:
WKIOZZKBALIOQP-UHFFFAOYSA-N
SMILES:
O=C(c1cc(F)c(c(c1)F)F)CC1OCCO1

Properties

Complexity:
269  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.05g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
246.185g/mol
Monoisotopic Mass:
246.05g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  

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