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1479-24-9 | Benzenepropanoic acid, 2-fluoro-β-oxo-, ethyl ester
CAS No: 1479-24-9 Catalog No: AG001F9M MDL No:MFCD00000321
Product Description
Catalog Number:
AG001F9M
Chemical Name:
Benzenepropanoic acid, 2-fluoro-β-oxo-, ethyl ester
CAS Number:
1479-24-9
Molecular Formula:
C11H11FO3
Molecular Weight:
210.2016
MDL Number:
MFCD00000321
IUPAC Name:
ethyl 3-(2-fluorophenyl)-3-oxopropanoate
InChI:
InChI=1S/C11H11FO3/c1-2-15-11(14)7-10(13)8-5-3-4-6-9(8)12/h3-6H,2,7H2,1H3
InChI Key:
YMUNUVJSNWUWDA-UHFFFAOYSA-N
SMILES:
CCOC(=O)CC(=O)c1ccccc1F
NSC Number:
166423
Properties
Complexity:
240
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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