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Home > Fluorides > 1246289-02-0
1246289-02-0 | 3',5'-Difluoro-4'-iso-pentoxyacetophenone
CAS No: 1246289-02-0 Catalog No: AG01FBJ8 MDL No:
Product Description
Catalog Number:
AG01FBJ8
Chemical Name:
3',5'-Difluoro-4'-iso-pentoxyacetophenone
CAS Number:
1246289-02-0
Molecular Formula:
C13H16F2O2
Molecular Weight:
242.2617
IUPAC Name:
1-[3,5-difluoro-4-(3-methylbutoxy)phenyl]ethanone
InChI:
InChI=1S/C13H16F2O2/c1-8(2)4-5-17-13-11(14)6-10(9(3)16)7-12(13)15/h6-8H,4-5H2,1-3H3
InChI Key:
NYEWGBKUHRRQQR-UHFFFAOYSA-N
SMILES:
CC(CCOc1c(F)cc(cc1F)C(=O)C)C
Properties
Complexity:
244
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:
3.5
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