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1443307-23-0 | 4'-Fluoro-2'-n-pentoxy-2,2,2-trifluoroacetophenone
CAS No: 1443307-23-0 Catalog No: AG01F923 MDL No:
Product Description
Catalog Number:
AG01F923
Chemical Name:
4'-Fluoro-2'-n-pentoxy-2,2,2-trifluoroacetophenone
CAS Number:
1443307-23-0
Molecular Formula:
C13H14F4O2
Molecular Weight:
278.2427
IUPAC Name:
2,2,2-trifluoro-1-(4-fluoro-2-pentoxyphenyl)ethanone
InChI:
InChI=1S/C13H14F4O2/c1-2-3-4-7-19-11-8-9(14)5-6-10(11)12(18)13(15,16)17/h5-6,8H,2-4,7H2,1H3
InChI Key:
YYNITDKNUWMVKI-UHFFFAOYSA-N
SMILES:
CCCCCOc1cc(F)ccc1C(=O)C(F)(F)F
Properties
Complexity:
291
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.093g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
278.247g/mol
Monoisotopic Mass:
278.093g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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