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Home > Fluorides > 1443305-20-1
1443305-20-1 | 2'-iso-Butoxy-3',5'-difluoropropiophenone
CAS No: 1443305-20-1 Catalog No: AG01FBMX MDL No:
Product Description
Catalog Number:
AG01FBMX
Chemical Name:
2'-iso-Butoxy-3',5'-difluoropropiophenone
CAS Number:
1443305-20-1
Molecular Formula:
C13H16F2O2
Molecular Weight:
242.2617
IUPAC Name:
1-[3,5-difluoro-2-(2-methylpropoxy)phenyl]propan-1-one
InChI:
InChI=1S/C13H16F2O2/c1-4-12(16)10-5-9(14)6-11(15)13(10)17-7-8(2)3/h5-6,8H,4,7H2,1-3H3
InChI Key:
NLRGXYMFYAHNPB-UHFFFAOYSA-N
SMILES:
CCC(=O)c1cc(F)cc(c1OCC(C)C)F
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.112g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
242.266g/mol
Monoisotopic Mass:
242.112g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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