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898787-14-9 | Ethyl 4-(2,2,2-Trifluoroacetyl)benzoate
CAS No: 898787-14-9 Catalog No: AG003Q8R MDL No:MFCD01319974
Product Description
Catalog Number:
AG003Q8R
Chemical Name:
Ethyl 4-(2,2,2-Trifluoroacetyl)benzoate
CAS Number:
898787-14-9
Molecular Formula:
C11H9F3O3
Molecular Weight:
246.1826
MDL Number:
MFCD01319974
IUPAC Name:
ethyl 4-(2,2,2-trifluoroacetyl)benzoate
InChI:
InChI=1S/C11H9F3O3/c1-2-17-10(16)8-5-3-7(4-6-8)9(15)11(12,13)14/h3-6H,2H2,1H3
InChI Key:
MSPQBVVINOKAFC-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc(cc1)C(=O)C(F)(F)F
Properties
Complexity:
291
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.05g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
246.185g/mol
Monoisotopic Mass:
246.05g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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