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Home > Fluorides > 886502-65-4
886502-65-4 | 1-(2-Fluoro-5-iodophenyl)-2,2,2-trifluoroethanone
CAS No: 886502-65-4 Catalog No: AG01EYF3 MDL No:MFCD08062422
Product Description
Catalog Number:
AG01EYF3
Chemical Name:
1-(2-Fluoro-5-iodophenyl)-2,2,2-trifluoroethanone
CAS Number:
886502-65-4
Molecular Formula:
C8H3F4IO
Molecular Weight:
318.0069
MDL Number:
MFCD08062422
IUPAC Name:
2,2,2-trifluoro-1-(2-fluoro-5-iodophenyl)ethanone
InChI:
InChI=1S/C8H3F4IO/c9-6-2-1-4(13)3-5(6)7(14)8(10,11)12/h1-3H
InChI Key:
OWYSUKAOQKBZHE-UHFFFAOYSA-N
SMILES:
O=C(C(F)(F)F)c1cc(I)ccc1F
Properties
Complexity:
228
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
317.916g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
318.009g/mol
Monoisotopic Mass:
317.916g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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