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1367991-94-3 | Ethyl 2-ethoxy-5-fluorobenzoylformate
CAS No: 1367991-94-3 Catalog No: AG01FD2F MDL No:
Product Description
Catalog Number:
AG01FD2F
Chemical Name:
Ethyl 2-ethoxy-5-fluorobenzoylformate
CAS Number:
1367991-94-3
Molecular Formula:
C12H13FO4
Molecular Weight:
240.2276
IUPAC Name:
ethyl 2-(2-ethoxy-5-fluorophenyl)-2-oxoacetate
InChI:
InChI=1S/C12H13FO4/c1-3-16-10-6-5-8(13)7-9(10)11(14)12(15)17-4-2/h5-7H,3-4H2,1-2H3
InChI Key:
BQXPMPIILPKUIG-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(=O)c1cc(F)ccc1OCC
Properties
Complexity:
280
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.08g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
240.23g/mol
Monoisotopic Mass:
240.08g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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