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24568-14-7 | Benzoic acid, 4-[(2,2,2-trifluoroacetyl)amino]-, ethyl ester
CAS No: 24568-14-7 Catalog No: AG002OKW MDL No:
Product Description
Catalog Number:
AG002OKW
Chemical Name:
Benzoic acid, 4-[(2,2,2-trifluoroacetyl)amino]-, ethyl ester
CAS Number:
24568-14-7
Molecular Formula:
C11H10F3NO3
Molecular Weight:
261.1972
IUPAC Name:
ethyl 4-[(2,2,2-trifluoroacetyl)amino]benzoate
InChI:
InChI=1S/C11H10F3NO3/c1-2-18-9(16)7-3-5-8(6-4-7)15-10(17)11(12,13)14/h3-6H,2H2,1H3,(H,15,17)
InChI Key:
QHYQXLZAPVFNKW-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc(cc1)NC(=O)C(F)(F)F
NSC Number:
95125
Properties
Complexity:
309
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.061g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
261.2g/mol
Monoisotopic Mass:
261.061g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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