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Home > Fluorides > 1443311-66-7
1443311-66-7 | 2'-Methyl-4'-n-pentoxy-2,2,2-trifluoroacetophenone
CAS No: 1443311-66-7 Catalog No: AG01F928 MDL No:
Product Description
Catalog Number:
AG01F928
Chemical Name:
2'-Methyl-4'-n-pentoxy-2,2,2-trifluoroacetophenone
CAS Number:
1443311-66-7
Molecular Formula:
C14H17F3O2
Molecular Weight:
274.2788
IUPAC Name:
2,2,2-trifluoro-1-(2-methyl-4-pentoxyphenyl)ethanone
InChI:
InChI=1S/C14H17F3O2/c1-3-4-5-8-19-11-6-7-12(10(2)9-11)13(18)14(15,16)17/h6-7,9H,3-5,8H2,1-2H3
InChI Key:
VAJCXCYRFRULSZ-UHFFFAOYSA-N
SMILES:
CCCCCOc1ccc(c(c1)C)C(=O)C(F)(F)F
Properties
Complexity:
289
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:
6
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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