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188182-79-8 | Benzenepropanoic acid, 2-fluoro-4-methoxy-β-oxo-, ethyl ester
CAS No: 188182-79-8 Catalog No: AG002GQJ MDL No:
Product Description
Catalog Number:
AG002GQJ
Chemical Name:
Benzenepropanoic acid, 2-fluoro-4-methoxy-β-oxo-, ethyl ester
CAS Number:
188182-79-8
Molecular Formula:
C12H13FO4
Molecular Weight:
240.2276
IUPAC Name:
ethyl 3-(2-fluoro-4-methoxyphenyl)-3-oxopropanoate
InChI:
InChI=1S/C12H13FO4/c1-3-17-12(15)7-11(14)9-5-4-8(16-2)6-10(9)13/h4-6H,3,7H2,1-2H3
InChI Key:
FPBQJGFCDJXLLF-UHFFFAOYSA-N
SMILES:
CCOC(=O)CC(=O)c1ccc(cc1F)OC
Properties
Complexity:
280
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.08g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
240.23g/mol
Monoisotopic Mass:
240.08g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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