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113760-11-5 | Propanoic acid, 2-[4-[(3-fluoro-2-quinoxalinyl)oxy]phenoxy]-, ethyl ester
CAS No: 113760-11-5 Catalog No: AG0009LG MDL No:
Product Description
Catalog Number:
AG0009LG
Chemical Name:
Propanoic acid, 2-[4-[(3-fluoro-2-quinoxalinyl)oxy]phenoxy]-, ethyl ester
CAS Number:
113760-11-5
Molecular Formula:
C19H17FN2O4
Molecular Weight:
356.3477
IUPAC Name:
ethyl 2-[4-(3-fluoroquinoxalin-2-yl)oxyphenoxy]propanoate
InChI:
InChI=1S/C19H17FN2O4/c1-3-24-19(23)12(2)25-13-8-10-14(11-9-13)26-18-17(20)21-15-6-4-5-7-16(15)22-18/h4-12H,3H2,1-2H3
InChI Key:
SUHVOZJTUGBBJV-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(Oc1ccc(cc1)Oc1nc2ccccc2nc1F)C
Properties
Complexity:
459
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
356.117g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
356.353g/mol
Monoisotopic Mass:
356.117g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
70.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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