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Home > Fluorides > 1443349-85-6
1443349-85-6 | 4',5'-Difluoro-3'-iso-pentoxyacetophenone
CAS No: 1443349-85-6 Catalog No: AG01FBOV MDL No:
Product Description
Catalog Number:
AG01FBOV
Chemical Name:
4',5'-Difluoro-3'-iso-pentoxyacetophenone
CAS Number:
1443349-85-6
Molecular Formula:
C13H16F2O2
Molecular Weight:
242.2617
IUPAC Name:
1-[3,4-difluoro-5-(3-methylbutoxy)phenyl]ethanone
InChI:
InChI=1S/C13H16F2O2/c1-8(2)4-5-17-12-7-10(9(3)16)6-11(14)13(12)15/h6-8H,4-5H2,1-3H3
InChI Key:
VJHXAMRYURUMFD-UHFFFAOYSA-N
SMILES:
CC(CCOc1cc(cc(c1F)F)C(=O)C)C
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:
3.5
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