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1443352-84-8

1443352-84-8 | 2'-iso-Butoxy-4'-fluoro-2,2,2-trifluoroacetophenone

CAS No: 1443352-84-8 Catalog No: AG01F8U1 MDL No:

Product Description

Catalog Number:
AG01F8U1
Chemical Name:
2'-iso-Butoxy-4'-fluoro-2,2,2-trifluoroacetophenone
CAS Number:
1443352-84-8
Molecular Formula:
C12H12F4O2
Molecular Weight:
264.2161
IUPAC Name:
2,2,2-trifluoro-1-[4-fluoro-2-(2-methylpropoxy)phenyl]ethanone
InChI:
InChI=1S/C12H12F4O2/c1-7(2)6-18-10-5-8(13)3-4-9(10)11(17)12(14,15)16/h3-5,7H,6H2,1-2H3
InChI Key:
CPEBPDIIEIOPNN-UHFFFAOYSA-N
SMILES:
CC(COc1cc(F)ccc1C(=O)C(F)(F)F)C

Properties

Complexity:
288  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.077g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
264.22g/mol
Monoisotopic Mass:
264.077g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1  

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