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Home > Fluorides > 1443310-83-5
1443310-83-5 | 2'-iso-Pentoxy-2,2,2,5'-tetrafluoroacetophenone
CAS No: 1443310-83-5 Catalog No: AG01F9VB MDL No:
Product Description
Catalog Number:
AG01F9VB
Chemical Name:
2'-iso-Pentoxy-2,2,2,5'-tetrafluoroacetophenone
CAS Number:
1443310-83-5
Molecular Formula:
C13H14F4O2
Molecular Weight:
278.2427
IUPAC Name:
2,2,2-trifluoro-1-[5-fluoro-2-(3-methylbutoxy)phenyl]ethanone
InChI:
InChI=1S/C13H14F4O2/c1-8(2)5-6-19-11-4-3-9(14)7-10(11)12(18)13(15,16)17/h3-4,7-8H,5-6H2,1-2H3
InChI Key:
ADTISJKBXVUSLN-UHFFFAOYSA-N
SMILES:
CC(CCOc1ccc(cc1C(=O)C(F)(F)F)F)C
Properties
Complexity:
302
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:
5
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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