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1443343-84-7 | 3',5'-Difluoro-2'-n-pentoxyacetophenone
CAS No: 1443343-84-7 Catalog No: AG01FCEL MDL No:
Product Description
Catalog Number:
AG01FCEL
Chemical Name:
3',5'-Difluoro-2'-n-pentoxyacetophenone
CAS Number:
1443343-84-7
Molecular Formula:
C13H16F2O2
Molecular Weight:
242.2617
IUPAC Name:
1-(3,5-difluoro-2-pentoxyphenyl)ethanone
InChI:
InChI=1S/C13H16F2O2/c1-3-4-5-6-17-13-11(9(2)16)7-10(14)8-12(13)15/h7-8H,3-6H2,1-2H3
InChI Key:
YKRJGIGDZCVBDQ-UHFFFAOYSA-N
SMILES:
CCCCCOc1c(F)cc(cc1C(=O)C)F
Properties
Complexity:
246
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:
6
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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