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418810-84-1 | Ethyl 4-(3-fluoro-phenoxy)butanoate
CAS No: 418810-84-1 Catalog No: AG01FE0A MDL No:
Product Description
Catalog Number:
AG01FE0A
Chemical Name:
Ethyl 4-(3-fluoro-phenoxy)butanoate
CAS Number:
418810-84-1
Molecular Formula:
C12H15FO3
Molecular Weight:
226.2441
IUPAC Name:
ethyl 4-(3-fluorophenoxy)butanoate
InChI:
InChI=1S/C12H15FO3/c1-2-15-12(14)7-4-8-16-11-6-3-5-10(13)9-11/h3,5-6,9H,2,4,7-8H2,1H3
InChI Key:
UJOSCSUZMDVWFU-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCCOc1cccc(c1)F
Properties
Complexity:
208
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.101g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
226.247g/mol
Monoisotopic Mass:
226.101g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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