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Home > Fluorides > 1443311-36-1
1443311-36-1 | 2'-iso-Butoxy-2,2,2,3',5'-pentafluoroacetophenone
CAS No: 1443311-36-1 Catalog No: AG01F9B4 MDL No:
Product Description
Catalog Number:
AG01F9B4
Chemical Name:
2'-iso-Butoxy-2,2,2,3',5'-pentafluoroacetophenone
CAS Number:
1443311-36-1
Molecular Formula:
C12H11F5O2
Molecular Weight:
282.2066
IUPAC Name:
1-[3,5-difluoro-2-(2-methylpropoxy)phenyl]-2,2,2-trifluoroethanone
InChI:
InChI=1S/C12H11F5O2/c1-6(2)5-19-10-8(11(18)12(15,16)17)3-7(13)4-9(10)14/h3-4,6H,5H2,1-2H3
InChI Key:
NJDLQRTXMGWTEF-UHFFFAOYSA-N
SMILES:
CC(COc1c(F)cc(cc1C(=O)C(F)(F)F)F)C
Properties
Complexity:
316
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.068g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
282.21g/mol
Monoisotopic Mass:
282.068g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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