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642447-55-0 | Ethyl 3-(trifluoromethoxy)benzoylformate
CAS No: 642447-55-0 Catalog No: AG01FC4S MDL No:
Product Description
Catalog Number:
AG01FC4S
Chemical Name:
Ethyl 3-(trifluoromethoxy)benzoylformate
CAS Number:
642447-55-0
Molecular Formula:
C11H9F3O4
Molecular Weight:
262.1820
IUPAC Name:
ethyl 2-oxo-2-[3-(trifluoromethoxy)phenyl]acetate
InChI:
InChI=1S/C11H9F3O4/c1-2-17-10(16)9(15)7-4-3-5-8(6-7)18-11(12,13)14/h3-6H,2H2,1H3
InChI Key:
OAHGPZUBGILEGU-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(=O)c1cccc(c1)OC(F)(F)F
Properties
Complexity:
314
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.045g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
262.184g/mol
Monoisotopic Mass:
262.045g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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