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Home > Fluorides > 1443335-87-2
1443335-87-2 | 2'-iso-Butoxy-3',5'-difluoroacetophenone
CAS No: 1443335-87-2 Catalog No: AG01FC23 MDL No:
Product Description
Catalog Number:
AG01FC23
Chemical Name:
2'-iso-Butoxy-3',5'-difluoroacetophenone
CAS Number:
1443335-87-2
Molecular Formula:
C12H14F2O2
Molecular Weight:
228.2352
IUPAC Name:
1-[3,5-difluoro-2-(2-methylpropoxy)phenyl]ethanone
InChI:
InChI=1S/C12H14F2O2/c1-7(2)6-16-12-10(8(3)15)4-9(13)5-11(12)14/h4-5,7H,6H2,1-3H3
InChI Key:
XUZVJHNERMIYMJ-UHFFFAOYSA-N
SMILES:
CC(COc1c(F)cc(cc1C(=O)C)F)C
Properties
Complexity:
243
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.096g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
228.239g/mol
Monoisotopic Mass:
228.096g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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