Home Other Building Blocks ethyl 3-(4-fluoro-3-methylphenyl)-3-oxopropanoate

ethyl 3-(4-fluoro-3-methylphenyl)-3-oxopropanoate

CAS No.:
72835-85-9
Catalog Number:
AG01AHQG
Molecular Formula:
C12H13FO3
Molecular Weight:
224.2282
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Product Description
Catalog Number:
AG01AHQG
Chemical Name:
ethyl 3-(4-fluoro-3-methylphenyl)-3-oxopropanoate
CAS Number:
72835-85-9
Molecular Formula:
C12H13FO3
Molecular Weight:
224.2282
MDL Number:
MFCD07783536
IUPAC Name:
ethyl 3-(4-fluoro-3-methylphenyl)-3-oxopropanoate
InChI:
InChI=1S/C12H13FO3/c1-3-16-12(15)7-11(14)9-4-5-10(13)8(2)6-9/h4-6H,3,7H2,1-2H3
InChI Key:
LSARTPXNGZTAKE-UHFFFAOYSA-N
SMILES:
CCOC(=O)CC(=O)c1ccc(c(c1)C)F
Properties
Complexity:
265  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.085g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
224.231g/mol
Monoisotopic Mass:
224.085g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties