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Home > Fluorides > 1443313-57-2
1443313-57-2 | 4'-Methoxy-3'-iso-pentoxy-2,2,2-trifluoroacetophenone
CAS No: 1443313-57-2 Catalog No: AG01F8AS MDL No:
Product Description
Catalog Number:
AG01F8AS
Chemical Name:
4'-Methoxy-3'-iso-pentoxy-2,2,2-trifluoroacetophenone
CAS Number:
1443313-57-2
Molecular Formula:
C14H17F3O3
Molecular Weight:
290.2782
IUPAC Name:
2,2,2-trifluoro-1-[4-methoxy-3-(3-methylbutoxy)phenyl]ethanone
InChI:
InChI=1S/C14H17F3O3/c1-9(2)6-7-20-12-8-10(4-5-11(12)19-3)13(18)14(15,16)17/h4-5,8-9H,6-7H2,1-3H3
InChI Key:
TVMVUBSEYFFYBB-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1OCCC(C)C)C(=O)C(F)(F)F
Properties
Complexity:
315
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.113g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
290.282g/mol
Monoisotopic Mass:
290.113g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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