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24106-86-3 | Ethyl 2-(2-fluorobenzyl)-3-oxobutanoate
CAS No: 24106-86-3 Catalog No: AG006XDC MDL No:MFCD03093821
Product Description
Catalog Number:
AG006XDC
Chemical Name:
Ethyl 2-(2-fluorobenzyl)-3-oxobutanoate
CAS Number:
24106-86-3
Molecular Formula:
C13H15FO3
Molecular Weight:
238.2548
MDL Number:
MFCD03093821
IUPAC Name:
ethyl 2-[(2-fluorophenyl)methyl]-3-oxobutanoate
InChI:
InChI=1S/C13H15FO3/c1-3-17-13(16)11(9(2)15)8-10-6-4-5-7-12(10)14/h4-7,11H,3,8H2,1-2H3
InChI Key:
FYIXPASNYHVDHS-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(C(=O)C)Cc1ccccc1F
Properties
Complexity:
278
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.101g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
238.258g/mol
Monoisotopic Mass:
238.101g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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