Home Other Building Blocks ethyl 3-(4-fluorophenyl)-2-methylbutanoate

ethyl 3-(4-fluorophenyl)-2-methylbutanoate

CAS No.:
2107198-78-5
Catalog Number:
AG01EIM4
Molecular Formula:
C13H17FO2
Molecular Weight:
224.2713
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Product Description
Catalog Number:
AG01EIM4
Chemical Name:
ethyl 3-(4-fluorophenyl)-2-methylbutanoate
CAS Number:
2107198-78-5
Molecular Formula:
C13H17FO2
Molecular Weight:
224.2713
MDL Number:
MFCD31666861
IUPAC Name:
ethyl 3-(4-fluorophenyl)-2-methylbutanoate
InChI:
InChI=1S/C13H17FO2/c1-4-16-13(15)10(3)9(2)11-5-7-12(14)8-6-11/h5-10H,4H2,1-3H3
InChI Key:
ADESQKOOUKEVNB-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(C(c1ccc(cc1)F)C)C
Properties
Complexity:
222  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.121g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
224.275g/mol
Monoisotopic Mass:
224.121g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  
Properties