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Home > Fluorides > 1443311-68-9
1443311-68-9 | 5'-Methyl-2'-iso-pentoxy-2,2,2-trifluoroacetophenone
CAS No: 1443311-68-9 Catalog No: AG01F8JQ MDL No:
Product Description
Catalog Number:
AG01F8JQ
Chemical Name:
5'-Methyl-2'-iso-pentoxy-2,2,2-trifluoroacetophenone
CAS Number:
1443311-68-9
Molecular Formula:
C14H17F3O2
Molecular Weight:
274.2788
IUPAC Name:
2,2,2-trifluoro-1-[5-methyl-2-(3-methylbutoxy)phenyl]ethanone
InChI:
InChI=1S/C14H17F3O2/c1-9(2)6-7-19-12-5-4-10(3)8-11(12)13(18)14(15,16)17/h4-5,8-9H,6-7H2,1-3H3
InChI Key:
OUGZGTGWHKIYHO-UHFFFAOYSA-N
SMILES:
CC(CCOc1ccc(cc1C(=O)C(F)(F)F)C)C
Properties
Complexity:
300
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.118g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
274.283g/mol
Monoisotopic Mass:
274.118g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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