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Home > Fluorides > 951889-61-5
951889-61-5 | Ethyl 4-(3-Fluoro-2-methylphenyl)-4-oxobutanoate
CAS No: 951889-61-5 Catalog No: AG01F9OM MDL No:
Product Description
Catalog Number:
AG01F9OM
Chemical Name:
Ethyl 4-(3-Fluoro-2-methylphenyl)-4-oxobutanoate
CAS Number:
951889-61-5
Molecular Formula:
C13H15FO3
Molecular Weight:
238.2548
IUPAC Name:
ethyl 4-(3-fluoro-2-methylphenyl)-4-oxobutanoate
InChI:
InChI=1S/C13H15FO3/c1-3-17-13(16)8-7-12(15)10-5-4-6-11(14)9(10)2/h4-6H,3,7-8H2,1-2H3
InChI Key:
IBVSHZSWVGWPND-UHFFFAOYSA-N
SMILES:
Cc1c(cccc1F)C(=O)CCC(=O)OCC
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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