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1443354-63-9 | Ethyl 3-(4-fluoro-2-methyl-phenoxy)propanoate
CAS No: 1443354-63-9 Catalog No: AG01FAG4 MDL No:
Product Description
Catalog Number:
AG01FAG4
Chemical Name:
Ethyl 3-(4-fluoro-2-methyl-phenoxy)propanoate
CAS Number:
1443354-63-9
Molecular Formula:
C12H15FO3
Molecular Weight:
226.2441
IUPAC Name:
ethyl 3-(4-fluoro-2-methylphenoxy)propanoate
InChI:
InChI=1S/C12H15FO3/c1-3-15-12(14)6-7-16-11-5-4-10(13)8-9(11)2/h4-5,8H,3,6-7H2,1-2H3
InChI Key:
IIGVGPMKGQNKSK-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCOc1ccc(cc1C)F
Properties
Complexity:
220
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:
6
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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