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Home > Fluorides > 893741-63-4
893741-63-4 | 1-(5-Pentafluorophenyl-thiophen-2-yl)-ethanone
CAS No: 893741-63-4 Catalog No: AG01EYRU MDL No:
Product Description
Catalog Number:
AG01EYRU
Chemical Name:
1-(5-Pentafluorophenyl-thiophen-2-yl)-ethanone
CAS Number:
893741-63-4
Molecular Formula:
C12H5F5OS
Molecular Weight:
292.2245
IUPAC Name:
1-[5-(2,3,4,5,6-pentafluorophenyl)thiophen-2-yl]ethanone
InChI:
InChI=1S/C12H5F5OS/c1-4(18)5-2-3-6(19-5)7-8(13)10(15)12(17)11(16)9(7)14/h2-3H,1H3
InChI Key:
NHCLUGDRJDXSKT-UHFFFAOYSA-N
SMILES:
CC(=O)c1ccc(s1)c1c(F)c(F)c(c(c1F)F)F
Properties
Complexity:
339
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.998g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
292.223g/mol
Monoisotopic Mass:
291.998g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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