Home Other Building Blocks Benzenepropanoic acid, α-fluoro-β-oxo-, ethyl ester

Benzenepropanoic acid, α-fluoro-β-oxo-, ethyl ester

CAS No.:
1479-22-7
Catalog Number:
AG001F9N
Molecular Formula:
C11H11FO3
Molecular Weight:
210.2016
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Product Description
Catalog Number:
AG001F9N
Chemical Name:
Benzenepropanoic acid, α-fluoro-β-oxo-, ethyl ester
CAS Number:
1479-22-7
Molecular Formula:
C11H11FO3
Molecular Weight:
210.2016
MDL Number:
MFCD03844752
IUPAC Name:
ethyl 2-fluoro-3-oxo-3-phenylpropanoate
InChI:
InChI=1S/C11H11FO3/c1-2-15-11(14)9(12)10(13)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3
InChI Key:
DTELMTOYSPFNNP-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(C(=O)c1ccccc1)F
Properties
Complexity:
234  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.069g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
210.204g/mol
Monoisotopic Mass:
210.069g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties