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89027-74-7 | Octanoic acid, 2-[(4-fluorophenyl)methoxy]-, ethyl ester
CAS No: 89027-74-7 Catalog No: AG0044BH MDL No:
Product Description
Catalog Number:
AG0044BH
Chemical Name:
Octanoic acid, 2-[(4-fluorophenyl)methoxy]-, ethyl ester
CAS Number:
89027-74-7
Molecular Formula:
C17H25FO3
Molecular Weight:
296.3770
IUPAC Name:
ethyl 2-[(4-fluorophenyl)methoxy]octanoate
InChI:
InChI=1S/C17H25FO3/c1-3-5-6-7-8-16(17(19)20-4-2)21-13-14-9-11-15(18)12-10-14/h9-12,16H,3-8,13H2,1-2H3
InChI Key:
GDPZVYALEVQNAS-UHFFFAOYSA-N
SMILES:
CCCCCCC(C(=O)OCC)OCc1ccc(cc1)F
Properties
Complexity:
275
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.179g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
296.382g/mol
Monoisotopic Mass:
296.179g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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