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418810-85-2 | Ethyl 5-(4-fluoro-phenoxy)pentanoate
CAS No: 418810-85-2 Catalog No: AG01FDNR MDL No:
Product Description
Catalog Number:
AG01FDNR
Chemical Name:
Ethyl 5-(4-fluoro-phenoxy)pentanoate
CAS Number:
418810-85-2
Molecular Formula:
C13H17FO3
Molecular Weight:
240.2707
IUPAC Name:
ethyl 5-(4-fluorophenoxy)pentanoate
InChI:
InChI=1S/C13H17FO3/c1-2-16-13(15)5-3-4-10-17-12-8-6-11(14)7-9-12/h6-9H,2-5,10H2,1H3
InChI Key:
LFAAYTAMNMTHDL-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCCCOc1ccc(cc1)F
Properties
Complexity:
213
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.116g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
240.274g/mol
Monoisotopic Mass:
240.116g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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