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951888-58-7 | Ethyl 3-fluoro-5-methylbenzoylformate
CAS No: 951888-58-7 Catalog No: AG01FDA3 MDL No:
Product Description
Catalog Number:
AG01FDA3
Chemical Name:
Ethyl 3-fluoro-5-methylbenzoylformate
CAS Number:
951888-58-7
Molecular Formula:
C11H11FO3
Molecular Weight:
210.2016
IUPAC Name:
ethyl 2-(3-fluoro-5-methylphenyl)-2-oxoacetate
InChI:
InChI=1S/C11H11FO3/c1-3-15-11(14)10(13)8-4-7(2)5-9(12)6-8/h4-6H,3H2,1-2H3
InChI Key:
KHAODLPYPPTYSW-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(=O)c1cc(C)cc(c1)F
Properties
Complexity:
252
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:
4
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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